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Information card for entry 4028789
Preview
Coordinates | 4028789.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 N2 O6 |
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Calculated formula | C28 H24 N2 O6 |
SMILES | o1c2ccccc2c2O[C@@]3(N(c4c([C@H](c2c1=O)C3(C)C)cc(OC)cc4)C)c1ccccc1N(=O)=O.o1c2ccccc2c2O[C@]3(N(c4c([C@@H](c2c1=O)C3(C)C)cc(OC)cc4)C)c1ccccc1N(=O)=O |
Title of publication | Photochromism of o-Nitrophenyl-Substituted Oxazabicycles |
Authors of publication | Wen-Chung Lin; Ding-Yah Yang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 11798 - 11806 |
a | 11.5429 ± 0.0005 Å |
b | 14.5961 ± 0.0006 Å |
c | 13.7283 ± 0.0006 Å |
α | 90° |
β | 103.401 ± 0.005° |
γ | 90° |
Cell volume | 2249.98 ± 0.17 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0728 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/4028789.html
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