Information card for entry 2219107

Structure parameters

• Chemical name: 5',6-Dichloro-1',3',3'-trimethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]
• Formula: C19 H17 Cl2 N O
• Calculated formula: C19 H17 Cl2 N O
• SMILES: Clc1cc2c(cc1)N(C)C1(C2(C)C)Oc2c(C=C1)cc(cc2)Cl
• Title of publication: 5',6-Dichloro-1',3',3'-trimethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]
• Authors of publication: Alhashimy, Nameer; Müller-Bunz, Helge; Schazmann, Benjamin; Diamond, Dermot
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1430 - o1431
• a: 8.3105 ± 0.0007 Å
• b: 18.2576 ± 0.0016 Å
• c: 11.1921 ± 0.001 Å
• α: 90°
• β: 104.77 ± 0.002°
• γ: 90°
• Cell volume: 1642.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes