Information card for entry 1547822

Structure parameters

• Formula: C16 H19 B O4
• Calculated formula: C16 H19 B O4
• SMILES: O1c2ccccc2[C@H]2[C@@H](C1=O)[C@H]2B1OC(C(O1)(C)C)(C)C.O1c2ccccc2[C@@H]2[C@H](C1=O)[C@@H]2B1OC(C(O1)(C)C)(C)C
• Title of publication: Synthesis of Borylcyclopropanes by Chromium-Promoted Cyclopropanation of Unactivated Alkenes.
• Authors of publication: Murai, Masahito; Mizuta, Chisato; Taniguchi, Ryuji; Takai, Kazuhiko
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 6104 - 6107
• a: 6.538 ± 0.002 Å
• b: 16.718 ± 0.006 Å
• c: 13.471 ± 0.005 Å
• α: 90°
• β: 90.09 ± 0.008°
• γ: 90°
• Cell volume: 1472.4 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0905
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2473
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No