Information card for entry 1548299

Structure parameters

• Formula: C29 H43 B2 N O2
• Calculated formula: C29 H43 B2 N O2
• SMILES: O1C(C)(C(OB1N(C(C)(C)C)B1C(c2c(cc(cc2C)C)C1)c1c(cc(cc1C)C)C)(C)C)C
• Title of publication: Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
• Authors of publication: Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
• Journal of publication: Nature Communications
• Year of publication: 2014
• Journal volume: 5
• Pages of publication: 4245
• a: 9.278 ± 0.003 Å
• b: 10.2 ± 0.003 Å
• c: 16.057 ± 0.005 Å
• α: 71.907 ± 0.012°
• β: 83.574 ± 0.015°
• γ: 68.113 ± 0.012°
• Cell volume: 1340.3 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No