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Information card for entry 4507397
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Coordinates | 4507397.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone) |
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Formula | C40 H32 N2 O4 |
Calculated formula | C40 H31.98 N2 O4 |
Title of publication | Unexpected Molecular Flip in Solid-State Photodimerization |
Authors of publication | Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 936 |
a | 7.77 ± 0.001 Å |
b | 8.055 ± 0.001 Å |
c | 13.474 ± 0.002 Å |
α | 84.99 ± 0.02° |
β | 75.45 ± 0.02° |
γ | 81.5 ± 0.02° |
Cell volume | 806.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.083 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1331 |
Weighted residual factors for all reflections included in the refinement | 0.1481 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.847 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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