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Information card for entry 4028261
Preview
Coordinates | 4028261.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H29 Cl3 N O7 |
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Calculated formula | C31 H30 Cl3 N O7 |
SMILES | O1[C@@H]([C@@H]2Oc3c([C@@H]2C[C@@H]1CC(=O)OC)cc(NC(=O)OCC1c2ccccc2c2ccccc12)cc3)CO.C(Cl)(Cl)Cl |
Title of publication | Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides |
Authors of publication | Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 5160 - 5171 |
a | 4.8157 ± 0.0001 Å |
b | 11.331 ± 0.0002 Å |
c | 54.7137 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2985.55 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0481 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.1252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/4028261.html
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