Information card for entry 7703114

Structure parameters

• Formula: C16 H24 B Cl2 O3 P S2
• Calculated formula: C16 H24 B Cl2 O3 P S2
• Title of publication: Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu₂POBcat.
• Authors of publication: Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 901 - 910
• a: 12.976 ± 0.0013 Å
• b: 14.0764 ± 0.0012 Å
• c: 12.6962 ± 0.0012 Å
• α: 90°
• β: 111.493 ± 0.005°
• γ: 90°
• Cell volume: 2157.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No