Information card for entry 7004689

Structure parameters

• Formula: C28 H43 B N2 O
• Calculated formula: C28 H43 B N2 O
• Title of publication: Formation and X-ray structure of a seven-membered C4OBN heterocycle by a THF ring-expansion process
• Authors of publication: Corrente, Andrea M.; Chivers, Tristram
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4840 - 4842
• a: 10.839 ± 0.002 Å
• b: 20.36 ± 0.004 Å
• c: 12.049 ± 0.002 Å
• α: 90°
• β: 97.85 ± 0.03°
• γ: 90°
• Cell volume: 2634.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No