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Information card for entry 7115571
Preview
Coordinates | 7115571.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H42 N4 O6 |
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Calculated formula | C52 H42 N4 O6 |
SMILES | c12c3ncnc2c2c4c(ncn2)c2c5c6c4c1c1c4c3c(OC)c(OC)c(OC)c4c3cc(cc4c3c1c6c1c4cc(cc1c5c(c(OC)c2OC)OC)C(C)(C)C)C(C)(C)C |
Title of publication | Methoxy functionalisation: exerting synthetic control of the supramolecular and electronic structure of nitrogen-doped nanographenes |
Authors of publication | Lankani P. Wijesinghe; Buddhie S. Lankage; Gearoid M. O Maille; Sarath D. Perera; Deanne Nolan; Longsheng Wang; Sylvia M. Draper |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 10637 |
a | 7.8968 ± 0.0011 Å |
b | 31.81 ± 0.004 Å |
c | 16.8438 ± 0.0018 Å |
α | 90° |
β | 105.408 ± 0.005° |
γ | 90° |
Cell volume | 4079 ± 0.9 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1329 |
Residual factor for significantly intense reflections | 0.114 |
Weighted residual factors for significantly intense reflections | 0.2646 |
Weighted residual factors for all reflections included in the refinement | 0.275 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
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/7115571.html
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