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Information card for entry 1502528
Preview
Coordinates | 1502528.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H15 N O5 |
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Calculated formula | C19 H15 N O5 |
SMILES | O=C1[C@]2(CCc3c1cccc3)C(=O)Oc1c([C@@H]2CN(=O)=O)cccc1 |
Title of publication | Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts. |
Authors of publication | Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 21 |
Pages of publication | 5758 - 5761 |
a | 9.6671 ± 0.0002 Å |
b | 10.0197 ± 0.0002 Å |
c | 16.6629 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1613.99 ± 0.06 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0597 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502528.html
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