Information card for entry 7156180

Structure parameters

• Formula: C32 H22 Br Cl4 N O2 S2
• Calculated formula: C32 H22 Br Cl4 N O2 S2
• Title of publication: Stereoselective and regioselective 5-exo-dig cyclization of 8-alkynylnaphthalen-1-amines for the synthesis of (E)-2-(arylthio)alkylene-1,2-dihydrobenzo[cd]indoles.
• Authors of publication: Bi, Cheng; Zhang, Lianpeng; Qiu, Guanyinsheng; Li, Xiaofang; Yao, Jinzhong; Zhou, Hongwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 3006 - 3011
• a: 9.9316 ± 0.0014 Å
• b: 9.6118 ± 0.0013 Å
• c: 33.373 ± 0.005 Å
• α: 90°
• β: 97.634 ± 0.004°
• γ: 90°
• Cell volume: 3157.6 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No