Information card for entry 7236793

Structure parameters

• Formula: C28 H36 B N
• Calculated formula: C28 H36 B N
• Title of publication: H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism
• Authors of publication: Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 26
• Pages of publication: 6537
• a: 8.4888 ± 0.0004 Å
• b: 16.5462 ± 0.0007 Å
• c: 32.8121 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4608.7 ± 0.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No