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Information card for entry 7219487
Preview
Coordinates | 7219487.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 O2 |
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Calculated formula | C15 H24 O2 |
SMILES | O[C@@H]1C(=C([C@@]2([C@@H](C1)C(CCC2)(C)C)C)C=O)C |
Title of publication | Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp. |
Authors of publication | Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 7.5653 ± 0.0002 Å |
b | 10.7212 ± 0.0004 Å |
c | 16.523 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1340.17 ± 0.08 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 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 | 0.0516 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1206 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.216 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180525 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94. |
7219487.cif |
131178 | 2015-02-05 | cif/ Adding structures of 7219486, 7219487, 7219488, 7219489 via cif-deposit CGI script. |
7219487.cif |
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Users of the data should acknowledge the original authors of the
structural data.