Information card for entry 8103338

Structure parameters

• Formula: C22 H20 N4 O8 S
• Calculated formula: C22 H20 N4 O8 S
• Title of publication: Crystal structure of 3,4-bis(acetyloxy)-N-{4-[(6-methoxy-4-pyrimidinyl)aminosulfonyl]phenyl}benzamide, C22H20N4O8S
• Authors of publication: Lue Li; Fa-Yan Meng; Li Wang; Zhou-Feng Huang; Shui-Qiang Wei; Cui-Wu Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 131
• a: 8.408 ± 0.006 Å
• b: 9.842 ± 0.007 Å
• c: 15.154 ± 0.011 Å
• α: 108.369 ± 0.008°
• β: 101.227 ± 0.009°
• γ: 96.479 ± 0.008°
• Cell volume: 1146.7 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No