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Information card for entry 2241499
Preview
Coordinates | 2241499.cif |
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Structure factors | 2241499.hkl |
Original IUCr paper | HTML |
Chemical name | 2,5-Bis(diphenylphosphanyl)furan |
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Formula | C28 H22 O P2 |
Calculated formula | C28 H22 O P2 |
SMILES | c1(ccc(o1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 |
Title of publication | Crystal structure of 2,5-bis(diphenylphosphanyl)furan |
Authors of publication | Martínez de León, Carla; Tlahuext, Hugo; Grévy, Jean-Michel |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 12 |
Pages of publication | o922 - o923 |
a | 10.7179 ± 0.0009 Å |
b | 8.5559 ± 0.0007 Å |
c | 24.55 ± 0.002 Å |
α | 90° |
β | 94.309 ± 0.001° |
γ | 90° |
Cell volume | 2244.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.048 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241499.cif 2241499.hkl |
174750 | 2016-01-22 | cif/ hkl/ Adding structures of 2241499 via cif-deposit CGI script. |
2241499.cif 2241499.hkl |
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Users of the data should acknowledge the original authors of the
structural data.