Information card for entry 4116746

Structure parameters

• Chemical name: 2-(1,3-bis(dimethylamino)propan-2-oxy-N,O)-4,5-diphenyl-1,3,2-dioxaborolane
• Formula: C21 H29 B N2 O3
• Calculated formula: C21 H29 B N2 O3
• SMILES: O1[B]2(O[C@@H]([C@H]1c1ccccc1)c1ccccc1)O[C@H](C[N]2(C)C)CN(C)C
• Title of publication: Direct Observation of Stereotopic Group Recognition in Solution and Solid State
• Authors of publication: Jurriaan Huskens; Richard Goddard; Manfred T. Reetz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 6617 - 6618
• a: 10.6052 ± 0.0008 Å
• b: 9.7625 ± 0.0008 Å
• c: 10.2093 ± 0.0012 Å
• α: 90°
• β: 95.762 ± 0.011°
• γ: 90°
• Cell volume: 1051.66 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No