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Information card for entry 2228891
Preview
| Coordinates | 2228891.cif |
|---|---|
| Structure factors | 2228891.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | (<i>E</i>)-3-(1-naphthylamino)methylene-(+)-camphor |
|---|---|
| Chemical name | (<i>E</i>)-1,7,7-trimethyl-3-[(1- naphthylamino)methylidene]bicyclo[2.2.1]heptan-2-one |
| Formula | C21 H23 N O |
| Calculated formula | C21 H23 N O |
| SMILES | O=C1C(=C/Nc2cccc3c2cccc3)/[C@@H]2C([C@@]1(C)CC2)(C)C |
| Title of publication | (<i>E</i>)-3-(1-Naphthylamino)methylene-(+)-camphor |
| Authors of publication | Pastrán, Jesús; Ineichen, Emilio; Agrifoglio, Giuseppe; Linden, Anthony; Dorta, Romano |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o188 - o189 |
| a | 23.807 ± 0.002 Å |
| b | 11.9688 ± 0.0012 Å |
| c | 12.0192 ± 0.0008 Å |
| α | 90° |
| β | 95.672 ± 0.005° |
| γ | 90° |
| Cell volume | 3408 ± 0.5 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0949 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2228891.cif 2228891.hkl |
| 181209 | 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 2/22/88. |
2228891.cif 2228891.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. |
2228891.cif 2228891.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228891.cif 2228891.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. | 2228891.cif 2228891.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228891.cif 2228891.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228891.cif 2228891.hkl |
| 10147 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228891 via cif-deposit CGI script. |
2228891.cif |
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Users of the data should acknowledge the original authors of the
structural data.