Information card for entry 4028056

Structure parameters

• Formula: C24 H48 B2 O4 P2
• Calculated formula: C24 H48 B2 O4 P2
• SMILES: [P@]1(C(C)(C)C)(CCOCCOc2ccccc2OCCOCC[P@](CC1)(C(C)(C)C)[BH3])[BH3]
• Title of publication: Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines
• Authors of publication: Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 2769 - 2774
• a: 6.6655 ± 0.0002 Å
• b: 13.8497 ± 0.0004 Å
• c: 30.6661 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2830.95 ± 0.15 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No