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Information card for entry 4037133
Preview
Coordinates | 4037133.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 N2 O7 |
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Calculated formula | C23 H26 N2 O7 |
SMILES | c1(c(cccc1N1C(=O)OC[C@@]23[C@@H]1CC(=O)[C@]1([C@@H]2N(C(=O)O3)CCC1)CC=C)OC)OC.c1(c(cccc1N1C(=O)OC[C@]23[C@H]1CC(=O)[C@@]1([C@H]2N(C(=O)O3)CCC1)CC=C)OC)OC |
Title of publication | Studies Directed toward the Synthesis of Aspidophytine: Construction of Its Perhydroquinoline Core. |
Authors of publication | Türkmen, Yunus E; Gravel, Michel; Rawal, Viresh H. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 21 |
Pages of publication | 10454 - 10462 |
a | 6.844 ± 0.003 Å |
b | 20.465 ± 0.01 Å |
c | 15.152 ± 0.007 Å |
α | 90° |
β | 98.215 ± 0.008° |
γ | 90° |
Cell volume | 2100.4 ± 1.7 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 | 0.0504 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1139 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
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/4037133.html
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Users of the data should acknowledge the original authors of the
structural data.