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Information card for entry 4024327
Preview
| Coordinates | 4024327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | methyl phomopsenonate |
|---|---|
| Formula | C21 H30 O3 |
| Calculated formula | C21 H30 O3 |
| SMILES | O=C1[C@H]([C@@H]2[C@@]3(C[C@@]4([C@H]([C@@H]3C1)C(CC4)(C)C)C)[C@H](CC2)C(=O)OC)C |
| Title of publication | Biosynthetic Gene-Based Secondary Metabolite Screening: A New Diterpene, Methyl Phomopsenonate, from the FungusPhomopsis amygdali |
| Authors of publication | Tomonobu Toyomasu; Akane Kaneko; Tetsuo Tokiwano; Yuya Kanno; Yuri Kanno; Rie Niida; Shigeyoshi Miura; Taiki Nishioka; Chiho Ikeda; Wataru Mitsuhashi; Tohru Dairi; Tomikazu Kawano; Hideaki Oikawa; Nobuo Kato; Takeshi Sassa |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 1541 - 1548 |
| a | 8.9881 ± 0.0007 Å |
| b | 13.7561 ± 0.001 Å |
| c | 14.6616 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1812.8 ± 0.2 Å3 |
| Cell temperature | 93.1 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 significantly intense reflections | 0.0245 |
| Weighted residual factors for all reflections included in the refinement | 0.028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4024327.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4024327.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024327.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024327.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024327.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024327.cif |
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Users of the data should acknowledge the original authors of the
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