Information card for entry 7118210

Structure parameters

• Common name: 10
• Chemical name: 2-Phenyl-4-tosyl-2,3,3a,4-tetrahydrocyclopenta[b]indole
• Formula: C24 H21 N O2 S
• Calculated formula: C24 H21 N O2 S
• SMILES: S(=O)(=O)(N1c2c(cccc2)C2[C@H]1C[C@@H](C=2)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1c2c(cccc2)C2[C@@H]1C[C@H](C=2)c1ccccc1)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: 10.6663 ± 0.0011 Å
• b: 10.8826 ± 0.0012 Å
• c: 18.121 ± 0.002 Å
• α: 90°
• β: 103.78 ± 0.002°
• γ: 90°
• Cell volume: 2042.9 ± 0.4 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: 0.0613
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No