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Information card for entry 1553915
Preview
Coordinates | 1553915.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 O3 |
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Calculated formula | C29 H32 O3 |
SMILES | Oc1c(cc([C@H]2[C@@H](Oc3c2cccc3)C(=O)c2ccccc2)cc1C(C)(C)C)C(C)(C)C.Oc1c(cc([C@@H]2[C@H](Oc3c2cccc3)C(=O)c2ccccc2)cc1C(C)(C)C)C(C)(C)C |
Title of publication | 1,6-Conjugated addition-mediated [4 + 1] annulation: an approach to 2,3-dihydrobenzofurans |
Authors of publication | Liu, Lina; Yuan, Zhenbo; Pan, Rui; Zeng, Yuye; Lin, Aijun; Yao, Hequan; Huang, Yue |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 4 |
Pages of publication | 623 |
a | 30.962 ± 0.005 Å |
b | 10.076 ± 0.0018 Å |
c | 20.18 ± 0.004 Å |
α | 90° |
β | 121.016 ± 0.004° |
γ | 90° |
Cell volume | 5395.5 ± 1.7 Å3 |
Cell temperature | 205 K |
Ambient diffraction temperature | 205 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 | 0.11 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for significantly intense reflections | 0.1559 |
Weighted residual factors for all reflections included in the refinement | 0.1836 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
Diffraction radiation wavelength | 0.71073 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/1553915.html
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