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Information card for entry 7114639
Preview
Coordinates | 7114639.cif |
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Original paper (by DOI) | HTML |
Formula | C62 H40 N4 O2 |
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Calculated formula | C62 H40 N4 O2 |
SMILES | c1c2ccc(c1)Oc1ccc3c(cccc3)c1c1c(ccc3c1cccc3)Oc1ccc(cc1)C1(N=C(c3ccccc3)C(=N1)c1ccccc1)n1c2nc(c1c1ccccc1)c1ccccc1 |
Title of publication | A chiral BINOL-bridged imidazole dimer possessing sub-millisecond fast photochromism |
Authors of publication | Takahiro Iwasaki; Tetsuya Kato; Yoichi Kobayashi; Jiro Abe |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 7481 |
a | 10.8574 ± 0.0015 Å |
b | 14.598 ± 0.002 Å |
c | 15.654 ± 0.002 Å |
α | 90.116 ± 0.002° |
β | 105.115 ± 0.002° |
γ | 110.614 ± 0.002° |
Cell volume | 2229.8 ± 0.5 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.1105 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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