Information card for entry 8105158

Structure parameters

• Formula: C25 H21 N O2 S
• Calculated formula: C25 H21 N O2 S
• Title of publication: The crystal structure of ethyl 5-(4-(diphenylamino)phenyl)thiophene-2-carboxylate, C25H21NO2S
• Authors of publication: Wang, Chang; Bai, Tao; Liu, Zhaod-Di
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 519 - 520
• a: 8.21802 ± 0.00018 Å
• b: 7.42687 ± 0.00017 Å
• c: 34.2757 ± 0.0008 Å
• α: 90°
• β: 91.149 ± 0.002°
• γ: 90°
• Cell volume: 2091.57 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0519
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No