Information card for entry 7234175

Structure parameters

• Formula: C33 H29 Cl3 N4 S
• Calculated formula: C33 H29 Cl3 N4 S
• Title of publication: Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles
• Authors of publication: Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 52
• Pages of publication: 30381
• a: 13.5139 ± 0.0003 Å
• b: 15.485 ± 0.0004 Å
• c: 15.7111 ± 0.0003 Å
• α: 90°
• β: 110.006 ± 0.001°
• γ: 90°
• Cell volume: 3089.35 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.97 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No