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Information card for entry 7110610
Preview
Coordinates | 7110610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H25 N O6 |
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Calculated formula | C22 H25 N O6 |
SMILES | O=C1[C@@H]2C=C([C@H](C1(OC)OC)[C@H]1Nc3c([C@@]21CC(=O)OCC)cccc3)C(=O)C.O=C1[C@H]2C=C([C@@H](C1(OC)OC)[C@@H]1Nc3c([C@]21CC(=O)OCC)cccc3)C(=O)C |
Title of publication | Diels‒Alder and Michael addition reactions of indoles with masked o-benzoquinones: synthesis of highly functionalized hydrocarbazoles and 3-arylindoles |
Authors of publication | Hsieh, Ming-Fang; Rao, Polisetti Dharma; Liao, Chun-Chen |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 15 |
Pages of publication | 1441 |
a | 10.6487 ± 0.0014 Å |
b | 22.172 ± 0.003 Å |
c | 8.588 ± 0.002 Å |
α | 90° |
β | 95.726 ± 0.013° |
γ | 90° |
Cell volume | 2017.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0764 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections | 0.1403 |
Weighted residual factors for significantly intense reflections | 0.1261 |
Goodness-of-fit parameter for all reflections | 1.068 |
Goodness-of-fit parameter for significantly intense reflections | 1.225 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7110610.html
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