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Information card for entry 7231545
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Coordinates | 7231545.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 N O3 |
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Calculated formula | C21 H23 N O3 |
Title of publication | Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol |
Authors of publication | Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 57 |
Pages of publication | 32601 |
a | 6.4767 ± 0.0004 Å |
b | 6.7235 ± 0.0005 Å |
c | 20.8609 ± 0.0014 Å |
α | 90° |
β | 93.851 ± 0.004° |
γ | 90° |
Cell volume | 906.36 ± 0.11 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0408 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7231545.html
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Users of the data should acknowledge the original authors of the
structural data.