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  The Crystal Structure of Anhydrous β‐Caffeine as Determined from X‐ray Powder‐Diffraction Data

Lehmann, C. W., & Stowasser, F. (2007). The Crystal Structure of Anhydrous β‐Caffeine as Determined from X‐ray Powder‐Diffraction Data. Chemistry – A European Journal, 13(10), 2908-2911. doi:10.1002/chem.200600973.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-9231-7 Version Permalink: https://hdl.handle.net/21.11116/0000-0007-1CB7-C
Genre: Journal Article

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 Creators:
Lehmann, Christian W.1, Author           
Stowasser, Frank2, Author
Affiliations:
1Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              
2Bruker AXS GmbH, Östliche Rheinbrückenstrasse 49, 76187 Karlsruhe, Germany, ou_persistent22              

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Free keywords: caffeine; organic crystals; real-space methods; structure elucidation; X-ray diffraction
 Abstract: The crystal structure of the low‐temperature form of anhydrous caffeine has been determined by using X‐ray powder‐diffraction data with a combined simulated‐annealing/Rietveld method. Anhydrous caffeine crystallises with five crystallographically independent molecules in a monoclinic C‐centred unit cell with dimensions of a=43.0390(17), b=15.0676(6) and c=6.95314(14) Å and a β angle of 99.027(2)°.

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Language(s): eng - English
 Dates: 2007-03-26
 Publication Status: Issued
 Pages: 4
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/chem.200600973
 Degree: -

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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 13 (10) Sequence Number: - Start / End Page: 2908 - 2911 Identifier: ISSN: 0947-6539
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058