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Information card for entry 4033172
Preview
Coordinates | 4033172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H33 N O7 |
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Calculated formula | C27 H33 N O7 |
SMILES | O=C1N([C@]([C@H](O)[C@]1(C(=O)OCc1ccccc1)C)(CC(C)C)C(=O)OC)Cc1ccc(OC)cc1.O=C1N([C@@]([C@@H](O)[C@@]1(C(=O)OCc1ccccc1)C)(CC(C)C)C(=O)OC)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 | 14.061 ± 0.003 Å |
b | 12.857 ± 0.002 Å |
c | 14.52 ± 0.003 Å |
α | 90° |
β | 109.008 ± 0.005° |
γ | 90° |
Cell volume | 2481.8 ± 0.8 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0508 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71075 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/4033172.html
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Users of the data should acknowledge the original authors of the
structural data.