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Information card for entry 4123110
Preview
Coordinates | 4123110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H23 N O |
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Calculated formula | C14 H23 N O |
SMILES | O1CC(NC2(C3CC4CC(C3)CC2C4)C1)C |
Title of publication | One-Step Synthesis of Saturated Spirocyclic N-Heterocycles with Stannyl Amine Protocol (SnAP) Reagents and Ketones. |
Authors of publication | Siau, Woon-Yew; Bode, Jeffrey W. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Pages of publication | 141209160958008 |
a | 13.9447 ± 0.0018 Å |
b | 20.027 ± 0.002 Å |
c | 10.2082 ± 0.0013 Å |
α | 90° |
β | 123.76 ± 0.004° |
γ | 90° |
Cell volume | 2370.1 ± 0.5 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.1026 |
Weighted residual factors for all reflections included in the refinement | 0.1109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
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/4123110.html
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structural data.