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Information card for entry 4514378
Preview
Coordinates | 4514378.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H7 N O2 |
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Calculated formula | C9 H7 N O2 |
SMILES | O=C1Nc2ccccc2[C@@]21OC2 |
Title of publication | Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel–Crafts Alkylation of 1-Naphthols at the C4 Position |
Authors of publication | Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Pages of publication | 1810 |
a | 4.3637 Å |
b | 8.4176 ± 0.0001 Å |
c | 20.062 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 736.915 ± 0.011 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 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 | 0.0262 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections included in the refinement | 0.0678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0564 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4514378.html
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