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Information card for entry 2230155
Preview
| Coordinates | 2230155.cif |
|---|---|
| Structure factors | 2230155.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl- 2<i>H</i>-benzo[<i>h</i>]chromene-2-yl]aniline |
|---|---|
| Formula | C38 H37 N O3 |
| Calculated formula | C38 H37 N O3 |
| SMILES | O1C(C=Cc2c(c(c3ccc(cc3c12)OC)c1ccc(cc1)OC)C)(c1ccc(cc1)N(CC)CC)c1ccccc1 |
| Title of publication | <i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl-2<i>H</i>-benzo[<i>h</i>]chromen-2-yl]aniline |
| Authors of publication | Kim, Moon-Hwan; Park, Hee-Moon; Kim, Chong-Hyeak |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o1067 - o1068 |
| a | 11.0527 ± 0.0003 Å |
| b | 11.687 ± 0.0003 Å |
| c | 12.2752 ± 0.0003 Å |
| α | 102.104 ± 0.002° |
| β | 93.012 ± 0.002° |
| γ | 95.929 ± 0.002° |
| Cell volume | 1537.58 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2359 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (current) | 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 2/23/01. |
2230155.cif 2230155.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. |
2230155.cif 2230155.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230155.cif 2230155.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. | 2230155.cif 2230155.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230155.cif 2230155.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230155.cif 2230155.hkl |
| 20233 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230155 via cif-deposit CGI script. |
2230155.cif |
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Users of the data should acknowledge the original authors of the
structural data.