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Information card for entry 7103156
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Coordinates | 7103156.cif |
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Original paper (by DOI) | HTML |
Common name | Diol-2HSA@90k-325nm-8h-exposure |
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Formula | C42 H38 O6 |
Calculated formula | C42 H38 O6 |
Title of publication | Competitive isomerization and dimerization in co-crystals of 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol and sorbic acid: a new look at stereochemical requirements for [2+2] dimerization. |
Authors of publication | Zheng, Shao-Liang; Pham, Oanh; Vande Velde, Christophe M L; Gembicky, Milan; Coppens, Philip |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 22 |
Pages of publication | 2538 - 2540 |
a | 8.5959 ± 0.0004 Å |
b | 9.6271 ± 0.0004 Å |
c | 11.3333 ± 0.0005 Å |
α | 90.1271 ± 0.0009° |
β | 109.922 ± 0.0006° |
γ | 105.72 ± 0.0005° |
Cell volume | 844.12 ± 0.06 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.0948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7103156.html
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