Information card for entry 8107256

Structure parameters

• Formula: C40 H32 N2 O12
• Calculated formula: C40 H32 N2 O12
• Title of publication: The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12
• Authors of publication: Cheng, Gui-Lin; Jiang, Cheng-Jun; Xia, Ying-Fan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 933 - 935
• a: 7.403 ± 0.003 Å
• b: 8.275 ± 0.003 Å
• c: 14.571 ± 0.004 Å
• α: 106.115 ± 0.015°
• β: 98.239 ± 0.016°
• γ: 95.054 ± 0.019°
• Cell volume: 841 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No