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Information card for entry 8101855
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Coordinates | 8101855.cif |
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External links | ChemSpider |
Chemical name | 2,2-diphenyl-4-dimethylaminopentanenitrile |
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Formula | C19 H22 N2 |
Calculated formula | C19 H22 N2 |
SMILES | N#CC(CC(N(C)C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Crystal structure of 2,2-diphenyl-4-dimethyl-aminopentanenitrile, C~19~H~22~N~2~ |
Authors of publication | Amani, A.; Rezanejade Bardajee, G.; Jafarpour, F.; Razaghi, M. O.; Yousefi Behzadi, M.; Haeri, A. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 4 |
Pages of publication | 549 - 550 |
a | 8.6358 ± 0.0013 Å |
b | 15.162 ± 0.002 Å |
c | 12.807 ± 0.002 Å |
α | 90° |
β | 106.599 ± 0.003° |
γ | 90° |
Cell volume | 1607 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0493 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.0858 |
Weighted residual factors for all reflections included in the refinement | 0.088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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