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Information card for entry 1503194
Preview
Coordinates | 1503194.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H16 O8 |
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Calculated formula | C22 H16 O8 |
SMILES | [C@]12([C@H](C(=O)c3ccccc3O2)[C@@H]2[C@@]1(C(=O)OC)Oc1c(C2=O)cccc1)C(=O)OC.[C@@]12([C@@H](C(=O)c3ccccc3O2)[C@H]2[C@]1(C(=O)OC)Oc1c(C2=O)cccc1)C(=O)OC |
Title of publication | Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media. |
Authors of publication | Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 20 |
Pages of publication | 4435 - 4437 |
a | 9.128 ± 0.0011 Å |
b | 10.3355 ± 0.0012 Å |
c | 10.6415 ± 0.0013 Å |
α | 76.61 ± 0.001° |
β | 68.814 ± 0.001° |
γ | 82.929 ± 0.001° |
Cell volume | 909.78 ± 0.19 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/1503194.html
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Users of the data should acknowledge the original authors of the
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