Information card for entry 1508857

Structure parameters

• Formula: C32 H29 Cl N2 O3
• Calculated formula: C32 H29 Cl N2 O3
• SMILES: Clc1cc2N(C(=O)[C@@]3(Nc4c([C@@](c5ccccc5O)(C3)CC)cc(OC)cc4)c2cc1)Cc1ccccc1
• Title of publication: A Catalytic Asymmetric Isatin-Involved Povarov Reaction: Diastereo- and Enantioselective Construction of Spiro[indolin-3,2'-quinoline] Scaffold.
• Authors of publication: Shi, Feng; Xing, Gui-Juan; Zhu, Ren-Yi; Tan, Wei; Tu, Shujiang
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 128 - 131
• a: 8.3771 ± 0.0001 Å
• b: 10.29 ± 0.0002 Å
• c: 31.168 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2686.69 ± 0.07 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No