Information card for entry 4345617

Structure parameters

• Formula: C58 H62 B N3 Si
• Calculated formula: C58 H62 B N3 Si
• Title of publication: Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies.
• Authors of publication: Li, Yan; Siwatch, Rahul Kumar; Mondal, Totan; Li, Yongxin; Ganguly, Rakesh; Koley, Debasis; So, Cheuk-Wai
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 4112 - 4120
• a: 10.8795 ± 0.0004 Å
• b: 13.8762 ± 0.0006 Å
• c: 17.5684 ± 0.0007 Å
• α: 108.268 ± 0.003°
• β: 90.442 ± 0.003°
• γ: 107.481 ± 0.003°
• Cell volume: 2387 ± 0.18 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1877
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No