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Information card for entry 4023171
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4023171.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C28 H33 N3 O |
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Calculated formula | C28 H33 N3 O |
SMILES | N1(C(=N[C@@H](Cc2ccccc2)CO)N([C@@H]([C@H]1c1c(cccc1)C)c1c(C)cccc1)C)C |
Title of publication | Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate |
Authors of publication | Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Pages of publication | 133 - 141 |
a | 8.1113 ± 0.0012 Å |
b | 14.058 ± 0.002 Å |
c | 21.632 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2466.7 ± 0.7 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1368 |
Weighted residual factors for all reflections included in the refinement | 0.1521 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 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/4023171.html
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structural data.