Information card for entry 7129229

Structure parameters

• Formula: C23 H21 N3 O3
• Calculated formula: C23 H21 N3 O3
• SMILES: O(CC)C(=O)[C@H]1CC2=NN(C(=O)[C@@]2(C)c2[nH]c3c(c12)cccc3)c1ccccc1
• Title of publication: Asymmetric synthesis of dihydrocarbazoles through Friedel-Crafts alkylation/annulation sequential reaction of indoles
• Authors of publication: Hu, Linfeng; Cao, Weidi; Wang, Kaixuan; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 14.994 ± 0.0004 Å
• b: 7.9399 ± 0.0002 Å
• c: 18.0476 ± 0.0005 Å
• α: 90°
• β: 110.222 ± 0.001°
• γ: 90°
• Cell volume: 2016.14 ± 0.09 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No