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Information card for entry 1505796
Preview
| Coordinates | 1505796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 14-benzyl-6,11-dihydroxy-5,7,13-trimethyl-12-methylene- 5,6,7,8,10a,11,12,13,13a,14,15,16-dodecahydro-2H- oxacyclododecino[2,3-d]isoindole-2,16-dione |
|---|---|
| Formula | C29 H38 N O6 |
| Calculated formula | C29 H38 N O6 |
| SMILES | O1C(=O)/C=C/[C@@H]([C@@H]([C@H](CC=C[C@H]2[C@@H](C(=C)[C@H]([C@H]3[C@@H](NC(=O)[C@@]123)Cc1ccccc1)C)O)C)O)C.OC |
| Title of publication | 10-Phenyl-[12]-cytochalasins Z7, Z8, and Z9 from the marine-derived fungus Spicaria elegans. |
| Authors of publication | Liu, Rui; Gu, Qianqun; Zhu, Weiming; Cui, Chengbin; Fan, Guotao; Fang, Yuchun; Zhu, Tianjiao; Liu, Hongbing |
| Journal of publication | Journal of natural products |
| Year of publication | 2006 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 871 - 875 |
| a | 7.477 ± 0.0015 Å |
| b | 11.075 ± 0.002 Å |
| c | 33.972 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2813.1 ± 1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| 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. |
1505796.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. |
1505796.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505796.cif |
| 47743 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505796 via cif-deposit CGI script. |
1505796.cif |
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