Information card for entry 7230584

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: 8.151 ± 0.007 Å
• b: 14.06 ± 0.012 Å
• c: 16.644 ± 0.013 Å
• α: 97.54 ± 0.03°
• β: 93.66 ± 0.03°
• γ: 102.91 ± 0.03°
• Cell volume: 1835 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No