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Information card for entry 1514174
Preview
Coordinates | 1514174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 O4 |
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Calculated formula | C20 H28 O4 |
SMILES | O=C1C[C@@H]([C@]2(C)[C@H]1[C@H]1OCC3=C1[C@@](CCC3=O)(CC2)C)[C@H](C)CO |
Title of publication | Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp. |
Authors of publication | Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng |
Journal of publication | Journal of natural products |
Year of publication | 2014 |
Journal volume | 77 |
Journal issue | 4 |
Pages of publication | 873 - 881 |
a | 8.227 ± 0.0007 Å |
b | 11.0537 ± 0.0009 Å |
c | 18.858 ± 0.013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1714.9 ± 1.2 Å3 |
Cell temperature | 101.8 K |
Ambient diffraction temperature | 101.8 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 | 0.0527 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1514174.cif |
112759 | 2014-05-04 | cif/ Updating files of 1514174, 1514175 Original log message: Adding full bibliography for 1514174--1514175.cif. |
1514174.cif |
108592 | 2014-04-02 | cif/ Adding structures of 1514174 via cif-deposit CGI script. |
1514174.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.