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Information card for entry 1544955
Preview
Coordinates | 1544955.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H88 Cl6 O22 |
---|---|
Calculated formula | C72 H88 Cl6 O22 |
SMILES | ClC(Cl)Cl.ClC(Cl)Cl.O([C@]12[C@@]3([C@H]4CC[C@@]5(C(=C(C(=O)O[C@H]5c5cocc5)C5=C6C7=C(O)[C@]8(O)[C@]9(OC(=O)C(C)C)[C@@]([C@H]([C@@]([C@@H]8OC(=O)C(C)C)(C)C9)CC(=O)OC)([C@H]7CC[C@]6([C@@H](OC5=O)c5cocc5)C)C)C4=C(O)[C@@]1(O)[C@@H](OC(=O)C(C)C)[C@]([C@@H]3CC(=O)OC)(C)C2)C)C)C(=O)C(C)C |
Title of publication | Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis. |
Authors of publication | Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard |
Journal of publication | Organic letters |
Year of publication | 2016 |
a | 17.38343 ± 0.00014 Å |
b | 17.46463 ± 0.00015 Å |
c | 23.5998 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7164.79 ± 0.1 Å3 |
Cell temperature | 294.1 ± 0.1 K |
Ambient diffraction temperature | 294.1 ± 0.1 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 | 0.0413 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1544955.html
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