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Information card for entry 2229010
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| Coordinates | 2229010.cif |
|---|---|
| Structure factors | 2229010.hkl |
| Original IUCr paper | HTML |
| Common name | Cinnarizinium dipicrate |
|---|---|
| Chemical name | 1-diphenylmethyl-4-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium bis(2,4,6-trinitrophenolate) |
| Formula | C38 H34 N8 O14 |
| Calculated formula | C38 H34 N8 O14 |
| Title of publication | Cinnarizinium dipicrate |
| Authors of publication | Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Chidan Kumar, C. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o500 - o501 |
| a | 15.1987 ± 0.0002 Å |
| b | 10.0913 ± 0.00017 Å |
| c | 25.0724 ± 0.0003 Å |
| α | 90° |
| β | 95.917 ± 0.0014° |
| γ | 90° |
| Cell volume | 3824.98 ± 0.09 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1055 |
| Residual factor for significantly intense reflections | 0.0924 |
| Weighted residual factors for significantly intense reflections | 0.2707 |
| Weighted residual factors for all reflections included in the refinement | 0.2891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181211 (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 2/22/90. |
2229010.cif 2229010.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. |
2229010.cif 2229010.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229010.cif 2229010.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. | 2229010.cif 2229010.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229010.cif 2229010.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229010.cif 2229010.hkl |
| 12028 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2229010 via cif-deposit CGI script. |
2229010.cif |
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Users of the data should acknowledge the original authors of the
structural data.