Information card for entry 7250629

Structure parameters

• Formula: C34 H29 N3 S
• Calculated formula: C34 H29 N3 S
• Title of publication: Structural modulations: unraveling the impact of benzothiazole positions on the optical properties of carbazole–cyanostilbenes
• Authors of publication: Afrin, A.; P, Chinna Ayya Swamy
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 3664 - 3674
• a: 9.1139 ± 0.0006 Å
• b: 10.7892 ± 0.0008 Å
• c: 14.2581 ± 0.001 Å
• α: 101.387 ± 0.004°
• β: 94.491 ± 0.004°
• γ: 97.68 ± 0.004°
• Cell volume: 1354.17 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1792
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No