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Information card for entry 4107369
Preview
Coordinates | 4107369.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 O2 |
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Calculated formula | C10 H10 O2 |
Title of publication | Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis |
Authors of publication | Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 1741 - 1748 |
a | 10.8535 ± 0.0005 Å |
b | 5.5167 ± 0.0004 Å |
c | 13.9943 ± 0.0005 Å |
α | 90° |
β | 100.41 ± 0.0012° |
γ | 90° |
Cell volume | 824.12 ± 0.08 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.098 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for all reflections | 0.0763 |
Weighted residual factors for significantly intense reflections | 0.0733 |
Weighted residual factors for all reflections included in the refinement | 0.0733 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1007 |
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/4107369.html
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Users of the data should acknowledge the original authors of the
structural data.