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Information card for entry 7103690
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Coordinates | 7103690.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | N(1'-phenethyl)-1-phenylpropylamine hydrocholride |
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Formula | C17 H22 Cl N |
Calculated formula | C17 H22 Cl N |
SMILES | [NH2+]([C@H](CC)c1ccccc1)[C@H](C)c1ccccc1.[Cl-].[NH2+]([C@@H](CC)c1ccccc1)[C@@H](C)c1ccccc1.[Cl-] |
Title of publication | Origin of 1,3-induction in the addition of alkyl lithium to imines bearing an N-stereogenic center |
Authors of publication | Nancy; Ghosh, Soma; Singh, Nishan; Kaur Nanda, Gurmeet; Venugopalan, P.; Bharatam, Prasad V.; Trehan, Sanjay |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 12 |
Pages of publication | 1420 - 1421 |
a | 11.098 ± 0.004 Å |
b | 8.006 ± 0.002 Å |
c | 18.969 ± 0.009 Å |
α | 90° |
β | 101.97 ± 0.03° |
γ | 90° |
Cell volume | 1648.8 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0961 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1598 |
Weighted residual factors for all reflections included in the refinement | 0.1845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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