Information card for entry 7236797

Structure parameters

• Formula: C48 H58 B2 N4
• Calculated formula: C48 H58 B2 N4
• 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: 8.6548 ± 0.0011 Å
• b: 12.1919 ± 0.0013 Å
• c: 39.327 ± 0.004 Å
• α: 90°
• β: 90.715 ± 0.007°
• γ: 90°
• Cell volume: 4149.4 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0814
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No