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Information card for entry 7116984
Preview
Coordinates | 7116984.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H30 Cl N O4 P2 |
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Calculated formula | C40 H30 Cl N O4 P2 |
SMILES | P(=O)(c1ccccc1)(C(=C=C(P(=O)(c1ccccc1)c1ccccc1)c1c(N(=O)=O)ccc(Cl)c1)c1ccc(cc1)C)c1ccccc1 |
Title of publication | Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides |
Authors of publication | G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 7168 |
a | 9.9475 ± 0.0003 Å |
b | 13.0705 ± 0.0005 Å |
c | 14.9853 ± 0.0005 Å |
α | 106.24 ± 0.003° |
β | 94.143 ± 0.003° |
γ | 110.585 ± 0.003° |
Cell volume | 1719.37 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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