Information card for entry 1508795

Structure parameters

• Formula: C35 H30 Cl2 N2 O
• Calculated formula: C35 H28 Cl2 N2 O
• Title of publication: 1,2- and 1,4-Additions of 2-Alkynylcyclohexadienimines with Aromatic Amines To Access 4-Amino-N-arylindoles and -azepinoindoles.
• Authors of publication: Zhang, Li; Li, Zhiming; Fan, Renhua
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 6076 - 6079
• a: 28.121 ± 0.007 Å
• b: 9.598 ± 0.002 Å
• c: 23.181 ± 0.006 Å
• α: 90°
• β: 116.64 ± 0.003°
• γ: 90°
• Cell volume: 5592 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No