Information card for entry 1519880

Structure parameters

• Formula: C27 H36 B Cl F2 N2
• Calculated formula: C27 H36 B Cl F2 N2
• Title of publication: C27H36BClF2N2
• Authors of publication: Aldridge, Simon; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 618
• a: 12.4636 ± 0.0008 Å
• b: 7.3364 ± 0.0008 Å
• c: 15.1611 ± 0.0016 Å
• α: 90°
• β: 91.529 ± 0.006°
• γ: 90°
• Cell volume: 1385.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.3297
• Residual factor for significantly intense reflections: 0.1746
• Weighted residual factors for significantly intense reflections: 0.2436
• Weighted residual factors for all reflections included in the refinement: 0.3107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No