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Information card for entry 2227968
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| Coordinates | 2227968.cif |
|---|---|
| Structure factors | 2227968.hkl |
| Original IUCr paper | HTML |
| Common name | 1,8-Bis(4-aminobenzoyl)-2,7-dimethoxynaphthalene |
|---|---|
| Chemical name | [8-(4-aminobenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-aminophenyl)methanone |
| Formula | C26 H22 N2 O4 |
| Calculated formula | C26 H22 N2 O4 |
| SMILES | COc1ccc2c(c1C(=O)c1ccc(cc1)N)c(c(cc2)OC)C(=O)c1ccc(cc1)N |
| Title of publication | 1,8-Bis(4-aminobenzoyl)-2,7-dimethoxynaphthalene |
| Authors of publication | Nishijima, Takahiro; Kataoka, Kotaro; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2904 - o2905 |
| a | 14.2996 ± 0.0003 Å |
| b | 10.2811 ± 0.0002 Å |
| c | 15.4306 ± 0.0003 Å |
| α | 90° |
| β | 114.523 ± 0.001° |
| γ | 90° |
| Cell volume | 2063.9 ± 0.07 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181200 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/79. |
2227968.cif 2227968.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227968.cif 2227968.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227968.cif 2227968.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. | 2227968.cif 2227968.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227968.cif 2227968.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227968.cif 2227968.hkl |
| 5005 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227968 via cif-deposit CGI script. |
2227968.cif |
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Users of the data should acknowledge the original authors of the
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