Information card for entry 4003061

Structure parameters

• Formula: C6 H5 N5 O2
• Calculated formula: C6 H5 N5 O2
• Title of publication: Structure and Morphology of Light-Reflecting Synthetic and Biogenic Polymorphs of Isoxanthopterin: A Comparison
• Authors of publication: Hirsch, Anna; Palmer, Benjamin A.; Ramasubramaniam, Ashwin; Williams, P. Andrew; Harris, Kenneth D. M.; Pokroy, Boaz; Weiner, Steve; Addadi, Lia; Leiserowitz, Leslie; Kronik, Leeor
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4479
• a: 4.4848 ± 0.0006 Å
• b: 9.8986 ± 0.0013 Å
• c: 20.4187 ± 0.0007 Å
• α: 90°
• β: 131.157 ± 0.006°
• γ: 90°
• Cell volume: 682.48 ± 0.14 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.34554
• Goodness-of-fit parameter for all reflections: 1.13
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No