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Information card for entry 1507424
Preview
Coordinates | 1507424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 |
---|---|
Calculated formula | C34 H30 |
SMILES | c1(c2cc3ccccc3cc2c(c2cc3ccccc3cc12)C#CC(C)(C)C)C#CC(C)(C)C |
Title of publication | A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives |
Authors of publication | Anthony, John E.; Eaton, David L.; Parkin, Sean R. |
Journal of publication | Organic Letters |
Year of publication | 2002 |
Journal volume | 4 |
Journal issue | 1 |
Pages of publication | 15 |
a | 25.074 ± 0.0014 Å |
b | 6.482 ± 0.0004 Å |
c | 19.246 ± 0.0011 Å |
α | 90° |
β | 124.441 ± 0.003° |
γ | 90° |
Cell volume | 2579.7 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 2 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0965 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507424.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507424.cif |
53957 | 2012-04-20 | cif/ Adding structures of 1507424, 1507425, 1507426, 1507427 via cif-deposit CGI script. |
1507424.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.