Information card for entry 4003238

Structure parameters

• Common name: Urorosein Sulfate Acetate
• Chemical name: 3H-indol-1-ium-3-ylmethylene-3H-indol-1-ium
• Formula: C19 H18 N2 O6 S
• Calculated formula: C19 H18 N2 O6 S
• Title of publication: Urochrome Pigment in Uric Acid Crystals
• Authors of publication: Hall, Victoria M.; Cox, Kristin A.; Sours, Ryan E.; Swift, Jennifer A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3862
• a: 20.1106 ± 0.0017 Å
• b: 7.3879 ± 0.0006 Å
• c: 24.51 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3641.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No