Information card for entry 7235138

Structure parameters

• Formula: C30 H32 B N
• Calculated formula: C30 H32 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: 9.418 ± 0.004 Å
• b: 15.613 ± 0.006 Å
• c: 16.741 ± 0.007 Å
• α: 90°
• β: 94.846 ± 0.011°
• γ: 90°
• Cell volume: 2452.9 ± 1.7 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: 0.0969
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No