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Information card for entry 1501796
Preview
| Coordinates | 1501796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H22 O3 |
|---|---|
| Calculated formula | C15 H22 O3 |
| SMILES | O1[C@@]23C=CC[C@@H]([C@]2([C@H](C(=O)CC3)[C@@H]([C@H]1O)C)C)C |
| Title of publication | Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava. |
| Authors of publication | Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 169 - 174 |
| a | 6.7198 ± 0.0002 Å |
| b | 12.2064 ± 0.0004 Å |
| c | 8.2198 ± 0.0002 Å |
| α | 90° |
| β | 107.746 ± 0.001° |
| γ | 90° |
| Cell volume | 642.14 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0273 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1501796.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501796.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501796.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501796.cif |
| 35150 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501796 via cif-deposit CGI script. |
1501796.cif |
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Users of the data should acknowledge the original authors of the
structural data.