Information card for entry 7217381

Structure parameters

• Formula: C20 H26 Br2 N4 O3.5 P S2
• Calculated formula: C20 H26 Br2 N4 O3.5 P S2
• Title of publication: N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold
• Authors of publication: Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 7053
• a: 25.4932 ± 0.0013 Å
• b: 8.2482 ± 0.0005 Å
• c: 25.1957 ± 0.0014 Å
• α: 90°
• β: 101.28 ± 0.004°
• γ: 90°
• Cell volume: 5195.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216251
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No