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Information card for entry 7053467
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Coordinates | 7053467.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 08170a |
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Formula | C15 H15 N O3 |
Calculated formula | C15 H15 N O3 |
SMILES | O=C1OC[C@H](N1[C@@]12C(=O)CC[C@@H]1C2)c1ccccc1 |
Title of publication | A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides. |
Authors of publication | Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P. |
Journal of publication | New journal of chemistry = Nouveau journal de chimie |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 7 |
Pages of publication | 1309 - 1316 |
a | 8.293 ± 0.002 Å |
b | 6.0494 ± 0.001 Å |
c | 12.923 ± 0.003 Å |
α | 90° |
β | 98.616 ± 0.017° |
γ | 90° |
Cell volume | 641 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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