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Information card for entry 2228415
Preview
Coordinates | 2228415.cif |
---|---|
Structure factors | 2228415.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium iodide |
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Formula | C17 H20 I N O3 |
Calculated formula | C17 H20 I N O3 |
SMILES | [I-].O(c1c(/C=C/c2[n+](cccc2)C)cc(OC)c(OC)c1)C |
Title of publication | 1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium iodide |
Authors of publication | Mueangkeaw, Charoensak; Chantrapromma, Suchada; Ruanwas, Pumsak; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | o3098 - o3099 |
a | 8.9109 ± 0.0001 Å |
b | 10.3551 ± 0.0001 Å |
c | 10.8201 ± 0.0002 Å |
α | 113.382 ± 0.001° |
β | 109.243 ± 0.001° |
γ | 96.831 ± 0.001° |
Cell volume | 828.51 ± 0.02 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0283 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228415.cif 2228415.hkl |
181205 | 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 2/22/84. |
2228415.cif 2228415.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. |
2228415.cif 2228415.hkl |
171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2228415.cif 2228415.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228415.cif 2228415.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. | 2228415.cif 2228415.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228415.cif 2228415.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228415.cif 2228415.hkl |
5785 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228412, 2228413, 2228414, 2228415, 2228416, 2228417, 2228418, 2228419, 2228420, 2228421 via cif-deposit CGI script. |
2228415.cif |
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Users of the data should acknowledge the original authors of the
structural data.