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Information card for entry 7151833
Preview
| Coordinates | 7151833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C21 H26 O3 |
|---|---|
| Calculated formula | C21 H26 O3 |
| SMILES | O=C1OCC2=C1[C@@H]1CCc3c([C@]1(CC2)C)ccc(c3OC)C(C)C |
| Title of publication | Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide. |
| Authors of publication | Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3176 - 3179 |
| a | 9.5128 ± 0.0008 Å |
| b | 7.9036 ± 0.0007 Å |
| c | 12.3434 ± 0.001 Å |
| α | 90° |
| β | 109.552 ± 0.001° |
| γ | 90° |
| Cell volume | 874.53 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151833.cif |
| 180304 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151833.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151833.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151833.cif |
| 21287 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151833, 7151834 via cif-deposit CGI script. |
7151833.cif |
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Users of the data should acknowledge the original authors of the
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