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Information card for entry 4514789
Preview
Coordinates | 4514789.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 N O2 |
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Calculated formula | C18 H15 N O2 |
SMILES | O=C1[C@@H](Cc2c[nH]c3c2cccc3)COc2c1cccc2 |
Title of publication | Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions |
Authors of publication | Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 7 |
Pages of publication | 6522 |
a | 8.98144 ± 0.00012 Å |
b | 9.10592 ± 0.00011 Å |
c | 35.9259 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2938.17 ± 0.06 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 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 | 0.0351 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0943 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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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