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Information card for entry 7207695
Preview
Coordinates | 7207695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H17 Cl N2 O2 |
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Calculated formula | C26 H17 Cl N2 O2 |
SMILES | Clc1cc([C@@H]2[C@H](OC(=C2C#N)c2c3c([nH]c2)cccc3)C(=O)c2ccccc2)ccc1.Clc1cc([C@H]2[C@@H](OC(=C2C#N)c2c3c([nH]c2)cccc3)C(=O)c2ccccc2)ccc1 |
Title of publication | Domino reactions in water: diastereoselective synthesis of densely functionalized indolyldihydrofuran derivatives |
Authors of publication | Gunasekaran, Pethaiah; Balamurugan, Kamaraj; Sivakumar, Sathiyamoorthi; Perumal, Subbu; Menéndez, J. Carlos; Almansour, Abdulrahman I. |
Journal of publication | Green Chemistry |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 750 |
a | 9.8188 ± 0.0002 Å |
b | 15.916 ± 0.0003 Å |
c | 13.4755 ± 0.0003 Å |
α | 90° |
β | 100.875 ± 0.002° |
γ | 90° |
Cell volume | 2068.08 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0557 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1469 |
Weighted residual factors for all reflections included in the refinement | 0.1598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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