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Information card for entry 7216248
Preview
Coordinates | 7216248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 Cl N4 O3 P S2 |
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Calculated formula | C19 H24 Cl N4 O3 P S2 |
SMILES | P(=S)(NC(=S)Nc1cccc(n1)/N=C/c1c(ccc(c1)Cl)O)(OC(C)C)OC(C)C |
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 | 8.5874 ± 0.0007 Å |
b | 11.9114 ± 0.0014 Å |
c | 12.8574 ± 0.0015 Å |
α | 98.428 ± 0.01° |
β | 109.104 ± 0.009° |
γ | 96.547 ± 0.008° |
Cell volume | 1210.7 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1261 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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