Information card for entry 7158145

Structure parameters

• Formula: C33 H26 N4 O7
• Calculated formula: C33 H26 N4 O7
• SMILES: c12ccccc1C1C(C(=C(C3(C=1c1ccc(C)cc1)C(=O)N(C)C(=O)N(C)C3=O)c1ccc(cc1)N(=O)=O)C(=O)OCC)=N2
• Title of publication: Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.
• Authors of publication: Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 28
• Pages of publication: 6322 - 6327
• a: 8.9596 ± 0.0005 Å
• b: 9.371 ± 0.0006 Å
• c: 19.8144 ± 0.0011 Å
• α: 99.221 ± 0.0018°
• β: 100.172 ± 0.0017°
• γ: 96.4144 ± 0.0019°
• Cell volume: 1599.44 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No