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Information card for entry 7208845
Preview
Coordinates | 7208845.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3aS,3cS,6aR,7S,9S,9aR)-methyl 2,5-diethyl-7,9-di(furan-2-yl)- 1,3,4,6-tetraoxododecahydro-1H-dipyrrolo[3,4-a:3',4'-f] pyrrolizine-3b-carboxylate |
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Formula | C25 H25 N3 O8 |
Calculated formula | C25 H25 N3 O8 |
SMILES | O=C(OC)C12N([C@@H]([C@@H]3C(=O)N(C(=O)[C@H]13)CC)c1occc1)[C@@H]([C@H]1[C@@H]2C(=O)N(C1=O)CC)c1occc1.O=C(OC)C12N([C@H]([C@H]3C(=O)N(C(=O)[C@@H]13)CC)c1occc1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)CC)c1occc1 |
Title of publication | One-pot double [3 + 2] cycloaddition for diastereoselective synthesis of tetracyclic pyrrolidine compounds |
Authors of publication | Lu, Qing; Song, Gonghua; Jasinski, Jerry P.; Keeley, Amanda C.; Zhang, Wei |
Journal of publication | Green Chemistry |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 3010 |
a | 10.8016 ± 0.0004 Å |
b | 23.0207 ± 0.0005 Å |
c | 9.9117 ± 0.0003 Å |
α | 90° |
β | 111.566 ± 0.004° |
γ | 90° |
Cell volume | 2292.11 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0756 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1484 |
Weighted residual factors for all reflections included in the refinement | 0.1588 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7208845.html
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