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Information card for entry 2237736
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| Coordinates | 2237736.cif |
|---|---|
| Structure factors | 2237736.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl}phenoxy)phenyl]iminiumylmethyl}naphthalen-2-olate |
|---|---|
| Formula | C34 H24 N2 O3 |
| Calculated formula | C34 H24 N2 O3 |
| SMILES | c1(c(ccc2c1cccc2)[O-])/C=[NH+]/c1ccc(cc1)Oc1ccc(cc1)/[NH+]=C/c1c(ccc2c1cccc2)[O-] |
| Title of publication | 1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl}phenoxy)phenyl]iminiumylmethyl}naphthalen-2-olate |
| Authors of publication | Haffar, Djahida; Daoud, Djamel; Douadi, Tahar; Bouzidi, Leila; Chafaa, Salah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | o581 - o582 |
| a | 5.292 ± 0.001 Å |
| b | 20.203 ± 0.001 Å |
| c | 23.863 ± 0.001 Å |
| α | 87.853 ± 0.01° |
| β | 86.457 ± 0.01° |
| γ | 85.26 ± 0.01° |
| Cell volume | 2536.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1474 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.2181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
2237736.cif 2237736.hkl |
| 181299 | 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 2/23/77. |
2237736.cif 2237736.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. |
2237736.cif 2237736.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237736.cif 2237736.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237736.cif 2237736.hkl |
| 85497 | 2013-05-07 | cif/ Adding structures of 2237736 via cif-deposit CGI script. |
2237736.cif |
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Users of the data should acknowledge the original authors of the
structural data.