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Information card for entry 4037359
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Coordinates | 4037359.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4-benzhydryl-2H-chromen-2-one |
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Formula | C22 H16 O2 |
Calculated formula | C22 H16 O2 |
SMILES | o1c(=O)cc(C(c2ccccc2)c2ccccc2)c2ccccc12 |
Title of publication | Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins. |
Authors of publication | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 22 |
Pages of publication | 11043 - 11056 |
a | 8.838 ± 0.003 Å |
b | 9.919 ± 0.005 Å |
c | 9.942 ± 0.005 Å |
α | 96.391 ± 0.015° |
β | 105.394 ± 0.018° |
γ | 98.99 ± 0.014° |
Cell volume | 819.2 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1098 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1427 |
Weighted residual factors for all reflections included in the refinement | 0.1596 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4037359.html
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