Information card for entry 4080662

Structure parameters

• Formula: C24 H28 B N
• Calculated formula: C24 H28 B N
• SMILES: B(c1ccc(N)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Revisiting Borylanilines: Unique Solid-State Structures and Insight into Photophysical Properties
• Authors of publication: Sudhakar, Pagidi; Mukherjee, Sanjoy; Thilagar, Pakkirisamy
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3129
• a: 12.7564 ± 0.0013 Å
• b: 9.8867 ± 0.001 Å
• c: 16.1989 ± 0.0015 Å
• α: 90°
• β: 100.352 ± 0.004°
• γ: 90°
• Cell volume: 2009.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No