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Information card for entry 7101627
Preview
Coordinates | 7101627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H60 N2 S4 Se2 |
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Calculated formula | C72 H60 N2 S4 Se2 |
SMILES | [se]1c2c3[se]c(C(=c4nc(=C(c5sc(c6sc(c7sc(c8sc(C(=c9c(cc(cc9C)C)C)c9nc(=C(c1cc2)c1c(cc(cc1C)C)C)cc9)cc8)cc7)cc6)cc5)c1c(cc(cc1C)C)C)cc4)c1c(cc(cc1C)C)C)cc3 |
Title of publication | Near IR absorbing planar aromatic [34]octaphyrins(1.1.0.1.1.0.0.0) containing a quaterthiophene subunit. |
Authors of publication | Kumar, Rajeev; Misra, Rajneesh; Chandrashekar, Tavarekere K; Suresh, Eringathodi |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 1 |
Pages of publication | 43 - 45 |
a | 20.276 ± 0.004 Å |
b | 21.24 ± 0.004 Å |
c | 21.313 ± 0.004 Å |
α | 81.06 ± 0.03° |
β | 62.88 ± 0.03° |
γ | 66.62 ± 0.03° |
Cell volume | 7495 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0978 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1411 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7101627.html
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Users of the data should acknowledge the original authors of the
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