Information card for entry 2200741

Structure parameters

• Chemical name: 2-(2-Cyclohex-1-enylvinyl)-[1,3,6,2]dioxazaborocane
• Formula: C12 H20 B N O2
• Calculated formula: C12 H20 B N O2
• SMILES: O1CC[NH]2CCO[B]12/C=C/C1=CCCCC1
• Title of publication: 2-(2-Cyclohex-1-enylvinyl)[1,3,6,2]dioxazaborocane
• Authors of publication: Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1010 - o1011
• a: 11.6372 ± 0.0003 Å
• b: 10.4879 ± 0.0005 Å
• c: 9.9749 ± 0.0004 Å
• α: 90°
• β: 100.657 ± 0.003°
• γ: 90°
• Cell volume: 1196.44 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0566
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes