Information card for entry 1502883

Structure parameters

• Formula: C20 H19 Cl N2 O2
• Calculated formula: C20 H19 Cl N2 O2
• SMILES: c1(ccc(cc1)[C@H]1[C@@H]([C@H](Cc2c1c1c(cccc1)n2C)C)N(=O)=O)Cl
• Title of publication: An enantioselective approach to highly substituted tetrahydrocarbazoles through hydrogen bonding-catalyzed cascade reactions.
• Authors of publication: Wang, Xu-Fan; Chen, Jia-Rong; Cao, Yi-Ju; Cheng, Hong-Gang; Xiao, Wen-Jing
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1140 - 1143
• a: 17.1435 ± 0.0006 Å
• b: 10.1913 ± 0.0005 Å
• c: 10.6419 ± 0.0004 Å
• α: 90°
• β: 109.586 ± 0.002°
• γ: 90°
• Cell volume: 1751.71 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No