Information card for entry 7118207

Structure parameters

• Common name: 6t
• Chemical name: Trans-2,3-di-4-tolyl-4-tosyl-1,2,3,4-tetrahydrocyclopenta[b]indole
• Formula: C32 H29 N O2 S
• Calculated formula: C32 H29 N O2 S
• SMILES: S(=O)(=O)(n1c2c(c3c1cccc3)C[C@@H](c1ccc(cc1)C)[C@@H]2c1ccc(cc1)C)c1ccc(cc1)C.S(=O)(=O)(n1c2c(c3c1cccc3)C[C@H](c1ccc(cc1)C)[C@H]2c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
• Authors of publication: Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 2811 - 2814
• a: 11.62 ± 0.0016 Å
• b: 11.0673 ± 0.0014 Å
• c: 21.125 ± 0.003 Å
• α: 90°
• β: 98.311 ± 0.004°
• γ: 90°
• Cell volume: 2688.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0965
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No