Information card for entry 7116448

Structure parameters

• Formula: C12 H21 B N P
• Calculated formula: C12 H21 B N P
• SMILES: [P@@]([BH3])(/N=C/c1ccccc1)(C)C(C)(C)C
• Title of publication: Borane as an efficient directing group. Stereoselective 1,2-addition of organometallic reagents to borane P-stereogenic N-phosphanylimines
• Authors of publication: Areli Flores-Gaspar; Silvia Orgue; Arnald Grabulosa; Antoni Riera; Xavier Verdaguer
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1941
• a: 10.793 ± 0.0018 Å
• b: 11.0539 ± 0.0018 Å
• c: 11.3385 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1352.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No