Information card for entry 2205781

Structure parameters

• Chemical name: 1,3,3,5-tetramethyl-6'-chloro-8'-bromoSpiro[(2'H,1'- benzopyran)-2,2'-indolines]
• Formula: C20 H19 Br Cl N O
• Calculated formula: C20 H19 Br Cl N O
• SMILES: Clc1cc(Br)c2O[C@@]3(N(c4c(C3(C)C)cc(cc4)C)C)C=Cc2c1
• Title of publication: 8-Bromo-6-chloro-1',3',3',5'-tetramethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]
• Authors of publication: Hui Guo; Yong-Bin Gao; Jie Han; Ji-Ben Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1461 - o1462
• a: 8.2117 ± 0.0006 Å
• b: 8.2117 ± 0.0006 Å
• c: 27.44 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1850.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes