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Information card for entry 1555157
Preview
Coordinates | 1555157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H38 N2 O6 |
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Calculated formula | C31 H38 N2 O6 |
SMILES | O=C(OC)C[C@H]1c2ccccc2[C@H](C21C(=O)N(C(=O)N(C2=O)C)C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C.O=C(OC)C[C@@H]1c2ccccc2[C@@H](C21C(=O)N(C(=O)N(C2=O)C)C)c1cc(c(O)c(c1)C(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 | 11.2677 ± 0.0001 Å |
b | 10.9396 ± 0.0001 Å |
c | 24.121 ± 0.0003 Å |
α | 90° |
β | 93.117 ± 0.001° |
γ | 90° |
Cell volume | 2968.86 ± 0.05 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0543 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1368 |
Weighted residual factors for all reflections included in the refinement | 0.143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/1555157.html
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Users of the data should acknowledge the original authors of the
structural data.