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Information card for entry 2235607
Preview
| Coordinates | 2235607.cif |
|---|---|
| Structure factors | 2235607.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b- hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one |
|---|---|
| Formula | C21 H23 N O3 |
| Calculated formula | C21 H23 N O3 |
| SMILES | O1C(=O)[C@H]([C@@H]2CC[C@]3(C=CC(=Nc4ccccc4O)C(=C3[C@@H]12)C)C)C |
| Title of publication | 8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one |
| Authors of publication | Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o2158 |
| a | 8.6 ± 0.0009 Å |
| b | 10.7458 ± 0.0011 Å |
| c | 19.729 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1823.2 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2235607.cif 2235607.hkl |
| 181278 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/56. |
2235607.cif 2235607.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2235607.cif 2235607.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235607.cif 2235607.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235607.cif 2235607.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235607.cif 2235607.hkl |
| 64078 | 2012-08-11 | cif/ Adding structures of 2235607 via cif-deposit CGI script. |
2235607.cif |
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Users of the data should acknowledge the original authors of the
structural data.