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Information card for entry 1555156
Preview
Coordinates | 1555156.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H38 O7 |
---|---|
Calculated formula | C30 H38 O7 |
SMILES | Oc1c(cc([C@@H]2c3ccccc3[C@@H](C2(C(=O)OC)C(=O)OC)CC(=O)OC)cc1C(C)(C)C)C(C)(C)C.Oc1c(cc([C@H]2c3ccccc3[C@H](C2(C(=O)OC)C(=O)OC)CC(=O)OC)cc1C(C)(C)C)C(C)(C)C |
Title of publication | A [4 + 1] annulation of ortho-electrophile-substituted para-quinone methides for the synthesis of indanes and isoindolines |
Authors of publication | Feng, Ziwen; Yuan, Zhenbo; Zhao, Xiaobin; Huang, Yue; Yao, Hequan |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 20 |
Pages of publication | 3535 |
a | 11.8298 ± 0.0002 Å |
b | 17.6502 ± 0.0003 Å |
c | 13.5929 ± 0.0002 Å |
α | 90° |
β | 90.058 ± 0.001° |
γ | 90° |
Cell volume | 2838.17 ± 0.08 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0809 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1876 |
Weighted residual factors for all reflections included in the refinement | 0.2034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555156.html
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Users of the data should acknowledge the original authors of the
structural data.