Information card for entry 7152752

Structure parameters

• Formula: C31 H30 N2 O4
• Calculated formula: C31 H30 N2 O4
• SMILES: c12ccccc1C=C[C@@H]1[C@]3([C@@H]([C@@H](C(=O)c4ccccc4)N21)C(=O)C)C(=O)Nc1ccc(C)cc31.C(C)O.c12ccccc1C=C[C@H]1[C@@]3([C@H]([C@H](C(=O)c4ccccc4)N21)C(=O)C)C(=O)Nc1ccc(C)cc31.C(C)O
• Title of publication: Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.
• Authors of publication: Wu, Lei; Sun, Jing; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 47
• Pages of publication: 9452 - 9463
• a: 14.1251 ± 0.0019 Å
• b: 11.6285 ± 0.0015 Å
• c: 16.905 ± 0.002 Å
• α: 90°
• β: 101.455 ± 0.002°
• γ: 90°
• Cell volume: 2721.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No