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Information card for entry 7202455
Preview
Coordinates | 7202455.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H42 N6 O8 |
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Calculated formula | C46 H42 N6 O8 |
SMILES | C1(=O)[C@H]2[C@@H]([C@@H]([C@H]2C(=O)[C@H]2[C@@H]([C@@H]([C@@H]12)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1.c1(cc(cc(c1)O)O)O.C(#N)C.c1(cc(cc(c1)O)O)O.C(#N)C |
Title of publication | Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation |
Authors of publication | Santra, Ramkinkar; Biradha, Kumar |
Journal of publication | CrystEngComm |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 11 |
Pages of publication | 1524 |
a | 15.333 ± 0.007 Å |
b | 13.061 ± 0.006 Å |
c | 20.359 ± 0.009 Å |
α | 90° |
β | 90.412 ± 0.016° |
γ | 90° |
Cell volume | 4077 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1779 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1573 |
Weighted residual factors for all reflections included in the refinement | 0.1914 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
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/7202455.html
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