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Information card for entry 2240974
Preview
Coordinates | 2240974.cif |
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Structure factors | 2240974.hkl |
Original IUCr paper | HTML |
Chemical name | 4,4'-Dimethoxy-2,2'-bipyridine |
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Formula | C12 H12 N2 O2 |
Calculated formula | C12 H12 N2 O2 |
SMILES | c1cc(cc(c2cc(ccn2)OC)n1)OC |
Title of publication | Crystal structure of 4,4'-dimethoxy-2,2'-bipyridine |
Authors of publication | Kusano, Yukiko; Ohno, Keiji; Fujihara, Takashi |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 8 |
Pages of publication | o623 - o624 |
a | 6.4235 ± 0.0011 Å |
b | 10.8139 ± 0.0018 Å |
c | 8.0123 ± 0.0014 Å |
α | 90° |
β | 109.462 ± 0.002° |
γ | 90° |
Cell volume | 524.76 ± 0.16 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0353 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240974.cif 2240974.hkl |
153031 | 2015-08-07 | cif/ hkl/ Adding structures of 2240974 via cif-deposit CGI script. |
2240974.cif 2240974.hkl |
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Users of the data should acknowledge the original authors of the
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