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Information card for entry 4029893
Preview
Coordinates | 4029893.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-(naphthalen-1-yl)cyclohexanone |
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Formula | C16 H16 O |
Calculated formula | C16 H16 O |
SMILES | O=C1C(CCCC1)c1cccc2ccccc12 |
Title of publication | A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons. |
Authors of publication | Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 17 |
Pages of publication | 8324 - 8330 |
a | 12.539 ± 0.004 Å |
b | 7.252 ± 0.002 Å |
c | 14.199 ± 0.005 Å |
α | 90° |
β | 110.964 ± 0.005° |
γ | 90° |
Cell volume | 1205.7 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1345 |
Residual factor for significantly intense reflections | 0.0995 |
Weighted residual factors for significantly intense reflections | 0.3157 |
Weighted residual factors for all reflections included in the refinement | 0.3365 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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