Information card for entry 4132034

Structure parameters

• Formula: C13 H24 B N O4
• Calculated formula: C13 H24 B N O4
• SMILES: CC(C(=O)N1CCOCC1)B1OC(C(C)(C)O1)(C)C
• Title of publication: Synthesis and Applications of Unquaternized C-Bound Boron Enolates.
• Authors of publication: Ng, Elvis Wang Hei; Low, Kam-Hung; Chiu, Pauline
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 10
• Pages of publication: 3537 - 3541
• a: 8.1648 ± 0.0003 Å
• b: 16.1293 ± 0.0006 Å
• c: 11.1095 ± 0.0004 Å
• α: 90°
• β: 98.45 ± 0.002°
• γ: 90°
• Cell volume: 1447.16 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No