Information card for entry 2009728

Structure parameters

• Formula: C30 H25 N3 O4 S
• Calculated formula: C30 H25 N3 O4 S
• Title of publication: 2-Benzoyl-3-(4-methoxyphenyl)-4-methyl-1-phenyl-2,3-dihydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide
• Authors of publication: Theobald, F.; Rodier, N.; Aubry, C.; Ciamala, K.; Nguyen Dinh An
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 791 - 794
• a: 11.947 ± 0.002 Å
• b: 11.333 ± 0.002 Å
• c: 21.114 ± 0.006 Å
• α: 109.38 ± 0.02°
• β: 94.85 ± 0.02°
• γ: 90.33 ± 0.01°
• Cell volume: 2685.4 ± 1.1 ų
• Cell temperature: 295 ± 1 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 significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.91
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No