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Information card for entry 2233819
Preview
| Coordinates | 2233819.cif |
|---|---|
| Structure factors | 2233819.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10,16-Dichloro-6,20-dioxa-3,23- diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa- 1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate |
|---|---|
| Formula | C26 H26 Cl2 N2 O5 |
| Calculated formula | C26 H26 Cl2 N2 O5 |
| Title of publication | 10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate |
| Authors of publication | Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o805 - o806 |
| a | 21.9905 ± 0.0003 Å |
| b | 8.1864 ± 0.0001 Å |
| c | 26.676 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4802.29 ± 0.1 Å3 |
| Cell temperature | 119.9 K |
| Ambient diffraction temperature | 119.9 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233819.cif 2233819.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. |
2233819.cif 2233819.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233819.cif 2233819.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. | 2233819.cif 2233819.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233819.cif 2233819.hkl |
| 51071 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233819 via cif-deposit CGI script. |
2233819.cif |
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Users of the data should acknowledge the original authors of the
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