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Information card for entry 4029895
Preview
Coordinates | 4029895.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H13 Cl O |
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Calculated formula | C17 H13 Cl O |
SMILES | Clc1ccc2c(c1)[C@H]1C[C@@H](C2=O)[C@H]1c1ccccc1.Clc1ccc2c(c1)[C@@H]1C[C@H](C2=O)[C@@H]1c1ccccc1 |
Title of publication | Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins. |
Authors of publication | Liu, Qiang; Meng, Jiang; Liu, Yang; Yang, Chao; Xia, Wujiong |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 17 |
Pages of publication | 8143 - 8155 |
a | 19.2843 ± 0.0009 Å |
b | 19.2843 ± 0.0009 Å |
c | 7.3129 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2719.55 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Weighted residual factors for all reflections included in the refinement | 0.1063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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