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Information card for entry 4029322
Preview
Coordinates | 4029322.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H30 N2 O4 |
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Calculated formula | C21 H30 N2 O4 |
SMILES | [nH]1c2[C@H]3N4[C@@H]([C@H](O)c2c2ccccc12)[C@@H]([C@@H](C3)C(=C\C)/C4)CO.OC.OC |
Title of publication | Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry. |
Authors of publication | Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 9 |
Pages of publication | 3776 - 3780 |
a | 8.3186 ± 0.0007 Å |
b | 12.4731 ± 0.001 Å |
c | 19.1532 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1987.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0367 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
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/4029322.html
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