Information card for entry 8107071

Structure parameters

• Formula: C32 H37 B Cl N
• Calculated formula: C32 H37 B Cl N
• Title of publication: Crystal structure of 1-(3-chloropropyl)piperidin-1-ium tetraphenylborate, C32H37BClN
• Authors of publication: Mostafa, Gamal A.E.; Ghabbour, Hazem A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 983 - 985
• a: 15.7303 ± 0.0006 Å
• b: 9.1129 ± 0.0003 Å
• c: 19.9295 ± 0.0008 Å
• α: 90°
• β: 109.143 ± 0.002°
• γ: 90°
• Cell volume: 2698.89 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No