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Information card for entry 4037373
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Coordinates | 4037373.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-2H-chromen-2-one |
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Formula | C24 H18 O2 |
Calculated formula | C24 H18 O2 |
SMILES | o1c(=O)cc(C2c3ccccc3CCc3ccccc23)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 | 11.006 ± 0.007 Å |
b | 9.632 ± 0.005 Å |
c | 16.438 ± 0.009 Å |
α | 90° |
β | 101.05 ± 0.02° |
γ | 90° |
Cell volume | 1710.3 ± 1.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1203 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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