Information card for entry 7154211

Structure parameters

• Formula: C63 H66 Br2 N6 O7
• Calculated formula: C63 H66 Br2 N6 O7
• Title of publication: Synthesis and antitumor activity of novel 2-substituted indoline imidazolium salt derivatives.
• Authors of publication: Xu, Xiao-Liang; Yu, Chun-Lei; Chen, Wen; Li, Ying-Chao; Yang, Li-Juan; Li, Yan; Zhang, Hong-Bin; Yang, Xiao-Dong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1550 - 1557
• a: 16.611 ± 0.0016 Å
• b: 14.92 ± 0.002 Å
• c: 12.644 ± 0.002 Å
• α: 90°
• β: 111.924 ± 0.008°
• γ: 90°
• Cell volume: 2907 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1348
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No