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Information card for entry 7113384
Preview
Coordinates | 7113384.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Ph2P(S)(C(Ncy)(NHcy))) |
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Formula | C25 H33 N2 P S |
Calculated formula | C25 H33 N2 P S |
SMILES | S=P(c1ccccc1)(c1ccccc1)/C(=N\C1CCCCC1)NC1CCCCC1 |
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 | 14.3934 ± 0.0002 Å |
b | 9.6078 ± 0.0002 Å |
c | 17.3407 ± 0.0003 Å |
α | 90° |
β | 100.495 ± 0.001° |
γ | 90° |
Cell volume | 2357.91 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7113384.html
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