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Information card for entry 1506022
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Coordinates | 1506022.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H22 Br2 O3 |
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Calculated formula | C33 H22 Br2 O3 |
Title of publication | Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone. |
Authors of publication | Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 14 |
Pages of publication | 2941 - 2944 |
a | 9.5126 ± 0.0006 Å |
b | 9.8661 ± 0.0014 Å |
c | 14.6056 ± 0.0012 Å |
α | 82.553 ± 0.005° |
β | 83.598 ± 0.002° |
γ | 78.989 ± 0.007° |
Cell volume | 1328.9 ± 0.2 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 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 | 0.0528 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/1506022.html
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Users of the data should acknowledge the original authors of the
structural data.