Information card for entry 7232936

Structure parameters

• Chemical name: EPTD
• Formula: C48 H48 N2 O4 S2
• Calculated formula: C48 H48 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: 8.7972 ± 0.0004 Å
• b: 9.6008 ± 0.0005 Å
• c: 24.5152 ± 0.0017 Å
• α: 90°
• β: 99.503 ± 0.005°
• γ: 90°
• Cell volume: 2042.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No