Information card for entry 7152753

Structure parameters

• Formula: C34 H24 Cl2 N2 O3
• Calculated formula: C34 H24 Cl2 N2 O3
• SMILES: c12ccc(C)cc1[C@@]1(C(=O)N2)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(cc2)Cl)[C@H]1C(=O)c1ccc(cc1)Cl.c12ccc(C)cc1[C@]1(C(=O)N2)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(cc2)Cl)[C@@H]1C(=O)c1ccc(cc1)Cl
• 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: 9.7306 ± 0.0018 Å
• b: 12.134 ± 0.002 Å
• c: 15.316 ± 0.003 Å
• α: 79.865 ± 0.003°
• β: 75.145 ± 0.003°
• γ: 70.894 ± 0.002°
• Cell volume: 1643.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No