Information card for entry 7109448

Structure parameters

• Formula: C30 H38 N2 O2
• Calculated formula: C30 H38 N2 O2
• Title of publication: Oxidation of C-H bonds to C[double bond, length as m-dash]O bonds by O2 only or N-oxides and DMSO: synthesis of delta^1^-bipyrrolinones and pyrrolino[3,2-b]pyrrolinones from 2,6-diazasemibullvalenes
• Authors of publication: Shaoguang Zhang; Ming Zhan; Qian Luo; Wen-Xiong Zhang; Zhenfeng Xi
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6146
• a: 11.152 ± 0.002 Å
• b: 31.613 ± 0.006 Å
• c: 7.0253 ± 0.0014 Å
• α: 90°
• β: 94.34 ± 0.03°
• γ: 90°
• Cell volume: 2469.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No