Information card for entry 8106327

Structure parameters

• Formula: C38 H24 N4 O S2
• Calculated formula: C38 H24 N4 O S2
• Title of publication: Crystal structure of 2,5-bis(4-(10H-phenothiazin-10-yl)phenyl)-1,3,4-oxadiazole, C38H24N4OS2
• Authors of publication: Wu, Qiong; Zhang, Heng-Qiang; Ramanaskanda, Braveenth; Chai, Kyu-Yun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 869 - 871
• a: 10.9621 ± 0.0006 Å
• b: 19.7851 ± 0.0011 Å
• c: 14.1928 ± 0.0009 Å
• α: 90°
• β: 100.957 ± 0.006°
• γ: 90°
• Cell volume: 3022.1 ± 0.3 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No