Information card for entry 1503956

Structure parameters

• Formula: C15 H23 B O2
• Calculated formula: C15 H23 B O2
• SMILES: O1[B]2([O]=C(C=C1C)C)C[C@@H]1CC(=C[C@](C2)(C1)C)C.O1[B]2([O]=C(C=C1C)C)C[C@H]1CC(=C[C@@](C2)(C1)C)C
• Title of publication: Design of bicyclic and cage boron compounds based on allylboration of acetylenes with allyldichloroboranes.
• Authors of publication: Erdyakov, Sergey Yu; Ignatenko, Anatolii V.; Potapova, Tamara V.; Lyssenko, Konstantin A.; Gurskii, Mikhail E.; Bubnov, Yuri N.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2872 - 2875
• a: 9.4826 ± 0.0006 Å
• b: 11.5606 ± 0.0008 Å
• c: 14.2207 ± 0.0009 Å
• α: 68.11 ± 0.001°
• β: 78.325 ± 0.001°
• γ: 84.522 ± 0.001°
• Cell volume: 1416.27 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No