Information card for entry 1568476

Structure parameters

• Formula: C36 H30 B P
• Calculated formula: C36 H30 B P
• Title of publication: An easy-to-perform evaluation of steric properties of Lewis acids
• Authors of publication: Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2275 - 2288
• a: 9.8279 ± 0.0007 Å
• b: 9.8279 ± 0.0007 Å
• c: 8.0179 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 670.68 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 ± 0.12 K
• Number of distinct elements: 4
• Space group number: 185
• Hermann-Mauguin space group symbol: P 63 c m
• Hall space group symbol: P 6c -2
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No