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Information card for entry 7107190
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7107190.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H15 N O2 |
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Calculated formula | C13 H15 N O2 |
SMILES | c1(c(cccc1)OC)N1C(=O)C2(CC2)C1C |
Title of publication | Regiospecific B-lactam ring-opening/recyclization reactions of N-aryl-3-spirocyclic-B-lactams catalyzed by a Lewis-Bronsted acids combined superacid catalyst system: a new entry to 3-spirocyclicquinolin-4(1H)-ones |
Authors of publication | Yinqiao Hu; Xiaolan Fu; Badru-Deen Barry; Xihe Bi; Dewen Dong |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 690 |
a | 7.981 ± 0.003 Å |
b | 8.782 ± 0.005 Å |
c | 9.476 ± 0.005 Å |
α | 111.031 ± 0.007° |
β | 104.521 ± 0.006° |
γ | 99.324 ± 0.006° |
Cell volume | 576.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0666 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.121 |
Weighted residual factors for all reflections included in the refinement | 0.136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7107190.html
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Users of the data should acknowledge the original authors of the
structural data.