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Information card for entry 8106248
Preview
Coordinates | 8106248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H10 O |
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Calculated formula | C17 H10 O |
SMILES | O=Cc1cc2ccc3cccc4ccc(c1)c2c34 |
Title of publication | Crystal structure of pyrene-2-carbaldehyde, C17H10O |
Authors of publication | Bao-Xi, Miao; Xin-Xue, Tang; Li-Fang, Zhang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 4 |
Pages of publication | 655 - 657 |
a | 8.1312 ± 0.0016 Å |
b | 7.8252 ± 0.0016 Å |
c | 17.231 ± 0.003 Å |
α | 90° |
β | 92.47 ± 0.03° |
γ | 90° |
Cell volume | 1095.4 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1034 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1114 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
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 |
Revision | Date | Message | Files |
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279554 (current) | 2022-11-25 | cif/ Adding structures of 8106248 via cif-deposit CGI script. |
8106248.cif |
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