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Information card for entry 7232811
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Coordinates | 7232811.cif |
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Original paper (by DOI) | HTML |
Common name | 3,3',6,6'-tetramethoxybianthrone |
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Chemical name | 3,3',6,6'-tetramethoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione |
Formula | C32 H24 O6 |
Calculated formula | C32 H24 O6 |
Title of publication | Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone |
Authors of publication | Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2019 |
a | 11.5969 ± 0.0005 Å |
b | 13.4458 ± 0.0006 Å |
c | 15.9778 ± 0.0009 Å |
α | 90° |
β | 107.103 ± 0.008° |
γ | 90° |
Cell volume | 2381.2 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0533 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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215437 (current) | 2019-05-23 | cif/ Adding structures of 7232811, 7232812 via cif-deposit CGI script. |
7232811.cif |
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