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Information card for entry 1517968
Preview
Coordinates | 1517968.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H34 O9 |
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Calculated formula | C27 H34 O9 |
SMILES | O=C1[C@@H]2C(=O)C([C@H](CC(=O)OC)[C@@]1(C)C[C@H]1[C@@]2(O)CC[C@@]2([C@]1(O)CC(=O)O[C@H]2c1cocc1)C)(C)C |
Title of publication | Trichiconins A-C, Limonoids with New Carbon Skeletons from Trichilia connaroides. |
Authors of publication | Liu, Cui-Ping; Xu, Jin-Biao; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 20 |
Pages of publication | 5478 - 5481 |
a | 12.9385 ± 0.0001 Å |
b | 7.6586 ± 0.0001 Å |
c | 13.3685 ± 0.0002 Å |
α | 90° |
β | 117.233 ± 0.001° |
γ | 90° |
Cell volume | 1177.86 ± 0.03 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.0975 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1517968.html
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