Information card for entry 1550855

Structure parameters

• Formula: C23 H40 B Cl N P
• Calculated formula: C23 H40 B Cl N P
• SMILES: Cl/[B](=C/1N(C(C)(C)CC1(C)C)c1c(C(C)C)cccc1C(C)C)[P](C)(C)C
• Title of publication: Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
• Authors of publication: Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 5095 - 5103
• a: 9.5037 ± 0.0005 Å
• b: 10.6623 ± 0.0005 Å
• c: 14.192 ± 0.0006 Å
• α: 109.04 ± 0.002°
• β: 92.35 ± 0.003°
• γ: 116.165 ± 0.002°
• Cell volume: 1190.8 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No