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Information card for entry 1501814
Preview
Coordinates | 1501814.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H34 O7 |
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Calculated formula | C22 H34 O7 |
SMILES | CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)C(=O)[C@@H]([C@H]([C@@]12CC[C@@]2(O1)COC(C2)O)C)O)C |
Title of publication | Labdane diterpenoids from Leonurus sibiricus. |
Authors of publication | Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K. |
Journal of publication | Journal of natural products |
Year of publication | 2011 |
Journal volume | 74 |
Journal issue | 4 |
Pages of publication | 831 - 836 |
a | 11.3687 ± 0.0009 Å |
b | 11.7108 ± 0.0009 Å |
c | 15.5053 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2064.3 ± 0.3 Å3 |
Cell temperature | 90 ± 0.5 K |
Ambient diffraction temperature | 90 ± 0.5 K |
Number of distinct elements | 3 |
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 | 0.0315 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0735 |
Weighted residual factors for all reflections included in the refinement | 0.0736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1501814.html
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