Information card for entry 1560707

Structure parameters

• Chemical name: 13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one
• Formula: C30 H31 N O3 S2
• Calculated formula: C30 H31 N O3 S2
• Title of publication: 13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one
• Authors of publication: Vinotha, G.; Sundar, T. V.; Sharmila, N.
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 2
• Pages of publication: x210210
• a: 25.375 ± 0.0004 Å
• b: 25.375 ± 0.0004 Å
• c: 8.6456 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5566.82 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes