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Information card for entry 2206208
Preview
Coordinates | 2206208.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2-benzylamino-4-phenyl-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-oxide |
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Formula | C18 H22 N O3 P |
Calculated formula | C18 H22 N O3 P |
SMILES | c1(ccccc1)CNP1(=O)OC(C(CO1)(C)C)c1ccccc1 |
Title of publication | 2-Benzylamino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinane 2-oxide |
Authors of publication | Wan, Shi-Guan; Liu, Chang; Yu, Yan; Yang, Xing-Yu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 7 |
Pages of publication | o2117 - o2119 |
a | 9.1916 ± 0.001 Å |
b | 9.9676 ± 0.0011 Å |
c | 10.0055 ± 0.0011 Å |
α | 86.049 ± 0.002° |
β | 72.405 ± 0.002° |
γ | 79.7 ± 0.002° |
Cell volume | 859.61 ± 0.16 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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