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Information card for entry 7107437
Preview
Coordinates | 7107437.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 O7 |
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Calculated formula | C23 H26 O7 |
SMILES | O=C1c2cc(OC)c(OC)c(OC)c2[C@@H](O[C@@]1(C(=O)OCC)CC)c1ccccc1.O=C1c2cc(OC)c(OC)c(OC)c2[C@H](O[C@]1(C(=O)OCC)CC)c1ccccc1 |
Title of publication | Efficient synthesis of isochromanones and isoquinolines via Yb(OTf)3-catalyzed tandem oxirane/aziridine ring opening/Friedel-Crafts cyclization |
Authors of publication | Lai Wei; Junliang Zhang |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 2636 |
a | 12.436 ± 0.0005 Å |
b | 10.6121 ± 0.0004 Å |
c | 16.2001 ± 0.0006 Å |
α | 90° |
β | 99.392 ± 0.001° |
γ | 90° |
Cell volume | 2109.3 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0397 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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