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Information card for entry 7107866
Preview
Coordinates | 7107866.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 O2 |
---|---|
Calculated formula | C19 H20 O2 |
SMILES | O1c2ccccc2C[C@H](C21Oc1c(C[C@H]2C)cccc1)C.O1c2ccccc2C[C@@H](C21Oc1c(C[C@@H]2C)cccc1)C |
Title of publication | Me3SiI-promoted reaction of salicylic aldehydes with ketones: a facile way to construct benzopyranic [2,3-b]ketals and spiroketals |
Authors of publication | Feijun Wang; Mingliang Qu; Xi Lu; Feng Chen; Min Shi |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 6259 |
a | 31.4581 ± 0.0018 Å |
b | 31.4581 ± 0.0018 Å |
c | 8.0818 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6926.3 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0725 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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