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Information card for entry 7053377
Preview
Coordinates | 7053377.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H23 N2 P Se |
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Calculated formula | C26 H23 N2 P Se |
SMILES | [Se]=P1(N(c2c(N1Cc1ccccc1)cccc2)Cc1ccccc1)c1ccccc1 |
Title of publication | Synthesis and X-ray structures of new phosphorus‒selenium heterocycles with an E‒P(Se)‒E′ (E, E′ = N, S, Se) linkage |
Authors of publication | Hua, Guoxiong; Fuller, Amy L.; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 8 |
Pages of publication | 1565 |
a | 9.761 ± 0.003 Å |
b | 10.318 ± 0.003 Å |
c | 12.94 ± 0.004 Å |
α | 112.187 ± 0.01° |
β | 95.998 ± 0.013° |
γ | 109.128 ± 0.014° |
Cell volume | 1100.6 ± 0.6 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.1063 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1349 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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