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Information card for entry 4329572
Preview
Coordinates | 4329572.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C50 H32 N6 |
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Calculated formula | C50 H32 N6 |
SMILES | c1(cccc2cc3cccc(c3cc12)C#Cc1ccc(cc1)N(c1ccccn1)c1ccccn1)C#Cc1ccc(cc1)N(c1ccccn1)c1ccccn1 |
Title of publication | Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes |
Authors of publication | Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 7039 - 7049 |
a | 20.3101 ± 0.0009 Å |
b | 9.0336 ± 0.0003 Å |
c | 20.0894 ± 0.0009 Å |
α | 90° |
β | 99.057 ± 0.002° |
γ | 90° |
Cell volume | 3639.9 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1592 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1389 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4329572.cif |
179398 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/95. |
4329572.cif |
78629 | 2013-04-02 | cif/ Adding structures of 4329572 via cif-deposit CGI script. |
4329572.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.