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Information card for entry 4037371
Preview
Coordinates | 4037371.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3R*,4S*)-3-methyl-4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen- 5-yl)chroman-2-one |
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Formula | C28 H28 O3 Si |
Calculated formula | C28 H28 O3 Si |
SMILES | O1C(=O)[C@H](C)[C@H](C2(O[Si](C)(C)C)c3ccccc3C=Cc3ccccc23)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 | 10.3861 ± 0.001 Å |
b | 10.3861 ± 0.001 Å |
c | 19.4684 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1818.7 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 144 |
Hermann-Mauguin space group symbol | P 31 |
Hall space group symbol | P 31 |
Residual factor for all reflections | 0.0892 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0536 |
Weighted residual factors for all reflections included in the refinement | 0.0583 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4037371.html
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