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Information card for entry 4033171
Preview
Coordinates | 4033171.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H30 N2 O9 |
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Calculated formula | C27 H30 N2 O9 |
SMILES | O=C1N([C@@H]([C@]2(OC(=O)OC)[C@]1(C(=O)O[C@H]2c1ccc(N(=O)=O)cc1)C)CC(C)C)Cc1ccc(OC)cc1.O=C1N([C@H]([C@@]2(OC(=O)OC)[C@@]1(C(=O)O[C@@H]2c1ccc(N(=O)=O)cc1)C)CC(C)C)Cc1ccc(OC)cc1 |
Title of publication | Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach. |
Authors of publication | Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 23 |
Pages of publication | 12209 - 12223 |
a | 18.721 ± 0.012 Å |
b | 18.189 ± 0.008 Å |
c | 30.942 ± 0.016 Å |
α | 90° |
β | 99.292 ± 0.012° |
γ | 90° |
Cell volume | 10398 ± 10 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.202 |
Residual factor for significantly intense reflections | 0.1548 |
Weighted residual factors for significantly intense reflections | 0.3752 |
Weighted residual factors for all reflections included in the refinement | 0.4401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
Diffraction radiation wavelength | 0.71075 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/4033171.html
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Users of the data should acknowledge the original authors of the
structural data.