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Information card for entry 4038128
Preview
Coordinates | 4038128.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H22 O2 |
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Calculated formula | C29 H22 O2 |
SMILES | c12c3c4ccccc4C(c3c3c4ccccc4oc3c1c1CC=CCc1o2)(CC)CC |
Title of publication | Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes. |
Authors of publication | Górski, Krzysztof; Mech-Piskorz, Justyna; LeÅ›niewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 7 |
Pages of publication | 4672 - 4681 |
a | 7.7659 ± 0.0004 Å |
b | 24.493 ± 0.0011 Å |
c | 11.05 ± 0.0005 Å |
α | 90° |
β | 102.439 ± 0.005° |
γ | 90° |
Cell volume | 2052.48 ± 0.17 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1624 |
Residual factor for significantly intense reflections | 0.1103 |
Weighted residual factors for significantly intense reflections | 0.2986 |
Weighted residual factors for all reflections included in the refinement | 0.3674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4038128.html
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