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Information card for entry 2228457
Preview
Coordinates | 2228457.cif |
---|---|
Structure factors | 2228457.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 4-(3-Fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)- 1<i>H</i>-imidazole |
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Formula | C26 H25 F N2 O5 |
Calculated formula | C26 H25 F N2 O5 |
SMILES | Fc1c(OC)ccc(c2ncn(c3ccc(OC)cc3)c2c2cc(OC)c(OC)c(OC)c2)c1 |
Title of publication | 4-(3-Fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1<i>H</i>-imidazole |
Authors of publication | Zhang, Xiao-Meng; Zhang, Cang; Zhang, Wen-Ping; Liu, Xiao-Rong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | o3084 |
a | 9.795 ± 0.002 Å |
b | 10.202 ± 0.002 Å |
c | 13.008 ± 0.003 Å |
α | 104.76 ± 0.03° |
β | 109.81 ± 0.03° |
γ | 91.45 ± 0.03° |
Cell volume | 1173.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0926 |
Residual factor for significantly intense reflections | 0.0555 |
Weighted residual factors for significantly intense reflections | 0.1315 |
Weighted residual factors for all reflections included in the refinement | 0.1778 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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. |
2228457.cif 2228457.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. |
2228457.cif 2228457.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. |
2228457.cif 2228457.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228457.cif 2228457.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. | 2228457.cif 2228457.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228457.cif 2228457.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228457.cif 2228457.hkl |
5789 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228452, 2228453, 2228454, 2228455, 2228456, 2228457, 2228458, 2228459, 2228460, 2228461 via cif-deposit CGI script. |
2228457.cif |
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Users of the data should acknowledge the original authors of the
structural data.