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Information card for entry 2227526
Preview
| Coordinates | 2227526.cif |
|---|---|
| Structure factors | 2227526.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-[(<i>E</i>)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10- diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
|---|---|
| Formula | C33.5 H30.7 N2 O2.85 |
| Calculated formula | C33.5 H30.7 N2 O2.85 |
| Title of publication | 5-[(<i>E</i>)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| Authors of publication | Kumar, Raju Suresh; Osman, Hasnah; Perumal, Subbu; Hemamalini, Madhukar; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2736 - o2737 |
| a | 19.3839 ± 0.0003 Å |
| b | 19.3839 ± 0.0003 Å |
| c | 14.0757 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5288.74 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181196 (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 2/22/75. |
2227526.cif 2227526.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2227526.cif 2227526.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227526.cif 2227526.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. | 2227526.cif 2227526.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227526.cif 2227526.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227526.cif 2227526.hkl |
| 4563 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227526 via cif-deposit CGI script. |
2227526.cif |
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Users of the data should acknowledge the original authors of the
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