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Information card for entry 7053417
Preview
Coordinates | 7053417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H23 O10 P3 |
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Calculated formula | C12 H23 O10 P3 |
SMILES | C(c1c(C)c(CP(=O)(O)O)c(C)c(CP(=O)(O)O)c1C)P(=O)(O)O.O |
Title of publication | One, two, and three methylene phosphonic acid groups (‒CH2PO3H2) on a mesitylene ring: synthesis, characterization and aspects of supramolecular aggregation |
Authors of publication | Murugavel, Ramaswamy; Singh, Mayank Pratap |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 9 |
Pages of publication | 1846 |
a | 9.7623 ± 0.0007 Å |
b | 17.876 ± 0.002 Å |
c | 10.4978 ± 0.0008 Å |
α | 90° |
β | 107.936 ± 0.009° |
γ | 90° |
Cell volume | 1742.9 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0465 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.1009 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7053417.html
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