Information card for entry 8101996

Structure parameters

• Chemical name: 8-bromo-6-chloro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline]
• Formula: C19 H17 Br Cl N O
• Calculated formula: C19 H17 Br Cl N O
• SMILES: Brc1cc(Cl)cc2C=C[C@@]3(Oc12)N(c1ccccc1C3(C)C)C
• Title of publication: Crystal structure of 8-bromo-6-chloro-1',3',3'-trimethylspiro[2H-1- benzopyran-2,2'-indoline], C~19~H~17~BrClNO
• Authors of publication: Wang, A.-Q.; Wu, Y.; Guo, H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 321 - 322
• a: 8.1499 ± 0.0008 Å
• b: 8.1499 ± 0.0008 Å
• c: 26.863 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1784.3 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1479
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No