Information card for entry 8107049

Structure parameters

• Formula: C40 H45 B N2 O
• Calculated formula: C40 H45 B N2 O
• Title of publication: Crystal structure of N-(2-(2-oxoindolin-4-yl)ethyl)-N-propylpropan-1-aminium tetraphenylborate, C40H45BN2O
• Authors of publication: Ghabbour, Hazem A.; Al-Majed, Abdulrahman; Alruqi, Obaid S.; Mostafa, Gamal A. E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 921 - 923
• a: 14.4148 ± 0.0006 Å
• b: 16.7684 ± 0.0007 Å
• c: 13.7178 ± 0.0005 Å
• α: 90°
• β: 102.791 ± 0.001°
• γ: 90°
• Cell volume: 3233.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No