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Information card for entry 7012326
Preview
Coordinates | 7012326.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C11 H16 Cl2 O2 Te |
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Calculated formula | C11 H16 Cl2 O2 Te |
SMILES | [Te](Cl)(Cl)(c1c(OC)cccc1OC)C(C)C |
Title of publication | Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I] |
Authors of publication | Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori |
Journal of publication | Dalton Transactions |
Year of publication | 2003 |
Journal issue | 5 |
Pages of publication | 973 |
a | 7.0124 ± 0.0004 Å |
b | 15.1295 ± 0.0005 Å |
c | 26.187 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2778.3 ± 0.2 Å3 |
Cell temperature | 173.1 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7012326.cif |
176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7012326.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012326.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012326.cif |
3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012326.cif |
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Users of the data should acknowledge the original authors of the
structural data.