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Information card for entry 1502757
Preview
Coordinates | 1502757.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H10 O2 |
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Calculated formula | C15 H10 O2 |
SMILES | c1(c2c(cccc2)cc2c1cccc2)C(=O)O |
Title of publication | Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation |
Authors of publication | Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2010 |
Journal volume | 114 |
Journal issue | 9 |
Pages of publication | 4142 |
a | 3.89 ± 0.0008 Å |
b | 9.37 ± 0.0019 Å |
c | 29.06 ± 0.006 Å |
α | 90° |
β | 90.64 ± 0.03° |
γ | 90° |
Cell volume | 1059.2 ± 0.4 Å3 |
Cell temperature | 270 ± 2 K |
Ambient diffraction temperature | 270 ± 2 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 | 0.0492 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.1017 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.6 Å |
Diffraction radiation type | synchrotronradiation |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502757.html
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