Information card for entry 1529393

Structure parameters

• Formula: C25 H24 Cl N O5
• Calculated formula: C25 H24 Cl N O5
• SMILES: Clc1ccc2n(c3c(c2c1)[C@@H](CC(C3=C)(C(=O)OC)C(=O)OC)c1ccc(OC)cc1)C
• Title of publication: One-Pot Catalytic Asymmetric Synthesis of Tetrahydrocarbazoles.
• Authors of publication: Liu, Qiong-Jie; Yan, Wen-Guang; Wang, Lijia; Zhang, X. Peter; Tang, Yong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4014 - 4017
• a: 6.9051 ± 0.0007 Å
• b: 18.0332 ± 0.0019 Å
• c: 18.2794 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2276.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No