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Information card for entry 4037376
Preview
Coordinates | 4037376.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3R*,4S*)-4-(2-hydroxyphenyl)-3-methyl-5,5-diphenyldihydrofuran-2(3H)-one |
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Formula | C23 H20 O3 |
Calculated formula | C23 H20 O3.5 |
SMILES | O1C(=O)[C@@H](C)[C@H](c2c(O)cccc2)C1(c1ccccc1)c1ccccc1.O1C(=O)[C@H](C)[C@@H](c2c(O)cccc2)C1(c1ccccc1)c1ccccc1.O |
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 | 9.3736 ± 0.0019 Å |
b | 9.757 ± 0.002 Å |
c | 11.672 ± 0.002 Å |
α | 73.534 ± 0.01° |
β | 89.493 ± 0.01° |
γ | 67.705 ± 0.01° |
Cell volume | 941.3 ± 0.3 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 | 0.1235 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.151 |
Weighted residual factors for all reflections included in the refinement | 0.1655 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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