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Information card for entry 4024412
Preview
Coordinates | 4024412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 N2 |
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Calculated formula | C18 H20 N2 |
SMILES | N(Cc1ccccc1)(C(C)CC#N)Cc1ccccc1 |
Title of publication | Complications from Dual Roles of Sodium Hydride as a Base and as a Reducing Agent |
Authors of publication | Dusan Hesek; Mijoon Lee; Bruce C. Noll; Jed F. Fisher; Shahriar Mobashery |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 2567 - 2570 |
a | 9.0162 ± 0.0004 Å |
b | 9.5201 ± 0.0004 Å |
c | 9.5212 ± 0.0004 Å |
α | 111.414 ± 0.002° |
β | 99.719 ± 0.002° |
γ | 91.631 ± 0.002° |
Cell volume | 746.29 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1006 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
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/4024412.html
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