Information card for entry 7230586

Structure parameters

• Formula: C41 H38 B Br N2 S
• Calculated formula: C41 H38 B Br N2 S
• Title of publication: Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism
• Authors of publication: Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 23
• Pages of publication: 3162
• a: 9.6323 ± 0.0007 Å
• b: 13.5037 ± 0.0011 Å
• c: 52.648 ± 0.004 Å
• α: 90°
• β: 93.701 ± 0.002°
• γ: 90°
• Cell volume: 6833.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1186
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No