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Information card for entry 7205046
Preview
Coordinates | 7205046.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N,N'-diphenyl-N,N'-bis(4,4'-methylphenyl)-[(1,1'-biphenyl)]-4,4'-diamine |
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Formula | C38 H32 N2 |
Calculated formula | C38 H32 N2 |
SMILES | c1(ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)C)N(c1ccccc1)c1ccc(cc1)C |
Title of publication | Tetraaryl biphenyl diamine hole transport materials: a structural study utilizing both single crystal and high resolution powder diffraction |
Authors of publication | Kennedy, Alan R.; Smith, W. Ewen; Tackley, Daniel R.; David, William I. F.; Shankland, Kenneth; Brown, Bev; Teat, Simon J. |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2002 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 168 |
a | 20.9674 ± 0.0003 Å |
b | 14.5059 ± 0.0002 Å |
c | 10.9862 ± 0.0001 Å |
α | 90° |
β | 117.825 ± 0.002° |
γ | 90° |
Cell volume | 2955.12 ± 0.08 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Goodness-of-fit parameter for all reflections | 3.26 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 0.80008 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180381 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/50. |
7205046.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205046.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205046.cif |
5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7205046.cif |
4082 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 7205046 via cif-deposit CGI script. |
7205046.cif |
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