Information card for entry 7235137

Structure parameters

• Formula: C28 H28 B N
• Calculated formula: C28 H28 B N
• Title of publication: Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials
• Authors of publication: Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 11465 - 11473
• a: 9.224 ± 0.005 Å
• b: 15.412 ± 0.008 Å
• c: 16.217 ± 0.008 Å
• α: 90°
• β: 99.827 ± 0.014°
• γ: 90°
• Cell volume: 2272 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0889
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No