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Information card for entry 7213189
Preview
Coordinates | 7213189.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H34 O5 |
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Calculated formula | C32 H34 O5 |
SMILES | O1[C@@H]([C@@H]([C@@H]2[C@H]1OC(O2)(C)C)OC=C=C(C)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Conformation of chiral alkoxyallenes by proton NMR spectroscopy |
Authors of publication | ysek, Robert; Krajewski, Piotr; Urbańczyk-Lipkowska, Zofia; Furman, Bartłomiej; Kałuża, Zbigniew; Kozerski, Lech; Chmielewski, Marek |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2000 |
Journal issue | 1 |
Pages of publication | 61 |
a | 10.703 ± 0.002 Å |
b | 12.29 ± 0.002 Å |
c | 21.49 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2826.8 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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