Information card for entry 2010561

Structure parameters

• Formula: C33 H38 N4 O2
• Calculated formula: C33 H38 N4 O2
• Title of publication: 3,3'-Dimesityl-7-methyl-9a-phenyl-4,4',5,5',6,8,9,9a-octahydro-7<i>H</i>-1,2,4-oxadiazolo[4,5-<i>d</i>][1,4]diazepine-8-spiro-5'-isoxazole
• Authors of publication: Baouid, A.; Hasnaoui, H.; Benharref, A.; Aatif, A.; Essaber, M.; Lavergne, J. P.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e25 - e26
• a: 22.9235 ± 0.0007 Å
• b: 9.9309 ± 0.0005 Å
• c: 12.8363 ± 0.0007 Å
• α: 90 ± 0.01°
• β: 101.078 ± 0.003°
• γ: 90 ± 0.01°
• Cell volume: 2867.7 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes