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Information card for entry 7117838
Preview
Coordinates | 7117838.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H60 N4 O12 |
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Calculated formula | C74 H60 N4 O12 |
SMILES | C1(=O)c2c3c(C(=O)N1c1c(OC(=O)Cc4c5ccc6c7c5c(cc4)ccc7ccc6)ccc(c1)C(C)(CC)C)ccc1C(=O)N(C(=O)c(c31)cc2)c1c(OC(=O)Cc2c3ccc4c5c3c(cc2)ccc5ccc4)ccc(c1)C(C)(C)CC.N(=O)(=O)C.N(=O)(=O)C |
Title of publication | Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex |
Authors of publication | Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 14809 |
a | 10.0093 ± 0.0004 Å |
b | 10.5133 ± 0.0004 Å |
c | 16.3672 ± 0.0007 Å |
α | 71.388 ± 0.002° |
β | 89.742 ± 0.002° |
γ | 62.504 ± 0.002° |
Cell volume | 1426.83 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0484 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1136 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
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/7117838.html
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Users of the data should acknowledge the original authors of the
structural data.