Information card for entry 7232938

Structure parameters

• Chemical name: EPTD-Y
• Formula: C44 H40 N2 O4 S2
• Calculated formula: C44 H40 N2 O4 S2
• Title of publication: Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force
• Authors of publication: Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 28
• Pages of publication: 4192
• a: 11.2305 ± 0.0006 Å
• b: 11.8596 ± 0.0006 Å
• c: 14.125 ± 0.0007 Å
• α: 102.649 ± 0.004°
• β: 93.485 ± 0.004°
• γ: 99.072 ± 0.005°
• Cell volume: 1803.79 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No