Information card for entry 4035121

Structure parameters

• Formula: C11 H18 B N
• Calculated formula: C11 H18 B N
• SMILES: [N]1(C(c2c(cccc2)C)CC1)(C)[BH3]
• Title of publication: Azetidine-Borane Complexes: Synthesis, Reactivity, and Stereoselective Functionalization.
• Authors of publication: Andresini, Michael; De Angelis, Sonia; Uricchio, Antonella; Visaggio, Angelica; Romanazzi, Giuseppe; Ciriaco, Fulvio; Corriero, Nicola; Degennaro, Leonardo; Luisi, Renzo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 10221 - 10230
• a: 12.82 ± 0.005 Å
• b: 6.017 ± 0.001 Å
• c: 14.764 ± 0.005 Å
• α: 90°
• β: 104.3 ± 0.03°
• γ: 90°
• Cell volume: 1103.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2311
• 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