Information card for entry 7118212

Structure parameters

• Common name: 6a
• Chemical name: 2-Phenyl-4-tosyl-1,2,3,4-tetrahydrocyclopenta[b]indole
• Formula: C24 H21 N O2 S
• Calculated formula: C24 H21 N O2 S
• SMILES: S(=O)(=O)(n1c2ccccc2c2c1CC(C2)c1ccccc1)c1ccc(C)cc1
• 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: 8.9249 ± 0.001 Å
• b: 9.9995 ± 0.001 Å
• c: 22.944 ± 0.0019 Å
• α: 90°
• β: 107.13 ± 0.004°
• γ: 90°
• Cell volume: 1956.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No