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Information card for entry 1542570
Preview
Coordinates | 1542570.cif |
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Original paper (by DOI) | HTML |
Chemical name | (R)-7-chloro-1-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a] quinoline-4-carbaldehyde |
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Formula | C13 H10 Cl N O2 |
Calculated formula | C13 H10 Cl N O2 |
SMILES | Clc1cc2C=C(C=O)[C@@H]3N(c2cc1)C(=O)CC3 |
Title of publication | Organocatalytically Generated Donor-Acceptor Cyclopropanes in Domino Reactions. One-Step Enantioselective Synthesis of Pyrrolo[1,2-a]quinolines. |
Authors of publication | Sanchez-Diez, Eduardo; Vesga, Diana L.; Reyes, Efraim; Uria, Uxue; Carrillo, Luisa; Vicario, Jose L. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 6 |
Pages of publication | 1270 - 1273 |
a | 7.02512 ± 0.00015 Å |
b | 8.17982 ± 0.00017 Å |
c | 10.0807 ± 0.0002 Å |
α | 104.135 ± 0.0018° |
β | 104.019 ± 0.0018° |
γ | 91.6954 ± 0.0018° |
Cell volume | 542.58 ± 0.02 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0327 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0852 |
Weighted residual factors for all reflections included in the refinement | 0.0861 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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