Information card for entry 4345616

Structure parameters

• Formula: C75 H77 B N2
• Calculated formula: C75 H77 B N2
• 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: 10.6094 ± 0.0003 Å
• b: 18.2183 ± 0.0005 Å
• c: 30.1202 ± 0.001 Å
• α: 90°
• β: 91.5576 ± 0.0016°
• γ: 90°
• Cell volume: 5819.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No