Information card for entry 7152756

Structure parameters

• Formula: C37 H26 Cl N3 O3
• Calculated formula: C37 H26 Cl N3 O3
• SMILES: c1cc(ccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1ccc(C)cc31)C=Cc1ccc3c(c21)nccc3)Cl.c1cc(ccc1C(=O)[C@H]1[C@H](C(=O)c2ccccc2)N2[C@H]([C@@]31C(=O)Nc1ccc(C)cc31)C=Cc1ccc3c(c21)nccc3)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: 8.7989 ± 0.0014 Å
• b: 11.8637 ± 0.0019 Å
• c: 15.562 ± 0.003 Å
• α: 88.053 ± 0.002°
• β: 74.732 ± 0.002°
• γ: 69.982 ± 0.002°
• Cell volume: 1469.6 ± 0.4 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: 0.0744
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No