Information card for entry 4332743

Structure parameters

• Formula: C19 H30 B N O3
• Calculated formula: C19 H30 B N O3
• SMILES: [B]12([N](=Cc3c(O1)c(C(C)(C)C)cc(C(C)(C)C)c3)CCCO2)OC
• Title of publication: Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate
• Authors of publication: Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9213 - 9224
• a: 16.2045 ± 0.0003 Å
• b: 11.2564 ± 0.0003 Å
• c: 10.4662 ± 0.0005 Å
• α: 90°
• β: 94.729 ± 0.0011°
• γ: 90°
• Cell volume: 1902.58 ± 0.11 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.1418
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No