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Information card for entry 4037365
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Coordinates | 4037365.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-(10',11'-Dihydro-3H-spiro[benzofuran-2,5'-dibenzo[a,d][7]annulen]- 3-yl)acetic acid |
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Formula | C24 H20 O3 |
Calculated formula | C24 H20 O3 |
SMILES | O1C2(c3ccccc3CCc3ccccc23)C(CC(=O)O)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 | 16.63 ± 0.007 Å |
b | 6.464 ± 0.003 Å |
c | 34.227 ± 0.013 Å |
α | 90° |
β | 94.57 ± 0.04° |
γ | 90° |
Cell volume | 3668 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0722 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4037365.html
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