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Information card for entry 7108228
Preview
Coordinates | 7108228.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H72 N2 Si2 |
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Calculated formula | C60 H72 N2 Si2 |
SMILES | C(#CC(=C=C=C(C#CC(=C=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccc(N(C)C)cc1)c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1)[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Highly pi electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references |
Authors of publication | Remi Chauvin; Arnaud Rives; Iaroslav Baglai; Volodymyr Malytskyi; Valerie Maraval; Nathalie Saffon; Zoia Voitenko |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 8763 |
a | 9.2348 ± 0.0009 Å |
b | 9.3293 ± 0.0009 Å |
c | 15.6051 ± 0.0016 Å |
α | 104.252 ± 0.005° |
β | 91.728 ± 0.004° |
γ | 95.653 ± 0.004° |
Cell volume | 1294.7 ± 0.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.064 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7108228.html
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Users of the data should acknowledge the original authors of the
structural data.