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Information card for entry 1572301
Preview
Coordinates | 1572301.cif |
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Original paper (by DOI) | HTML |
Chemical name | (Z)-(4-benzylidene-2-oxabicyclo[4.1.1]octan-6-yl)(naphthalen-2-yl)methanone |
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Formula | C25 H22 O2 |
Calculated formula | C25 H22 O2 |
Title of publication | Palladium-catalyzed decarboxylative (4 + 3) cycloadditions of bicyclobutanes with 2-alkylidenetrimethylene carbonates for the synthesis of 2-oxabicyclo[4.1.1]octanes. |
Authors of publication | Gao, Xin-Yu; Tang, Lei; Zhang, Xu; Feng, Jian-Jun |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 34 |
Pages of publication | 13942 - 13948 |
a | 6.0617 ± 0.0002 Å |
b | 11.9065 ± 0.0003 Å |
c | 14.3836 ± 0.0004 Å |
α | 113.136 ± 0.001° |
β | 99.6 ± 0.001° |
γ | 90.492 ± 0.001° |
Cell volume | 938.11 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0517 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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