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Information card for entry 7113385
Preview
Coordinates | 7113385.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (SePPh2C(NHC6H11)(NC6H11)) |
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Formula | C25 H33 N2 P Se |
Calculated formula | C25 H33 N2 P Se |
SMILES | [Se]=P(/C(=N\C1CCCCC1)NC1CCCCC1)(c1ccccc1)c1ccccc1 |
Title of publication | Self-organisation in P-substituted guanidines leading to solution-state isomerisation. |
Authors of publication | Grundy, Joanna; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 21 |
Pages of publication | 2410 - 2411 |
a | 8.8687 ± 0.0001 Å |
b | 9.6892 ± 0.0001 Å |
c | 14.991 ± 0.0002 Å |
α | 82.172 ± 0.001° |
β | 82.934 ± 0.001° |
γ | 69.345 ± 0.001° |
Cell volume | 1190.24 ± 0.03 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0298 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0564 |
Weighted residual factors for all reflections included in the refinement | 0.0585 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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