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Information card for entry 4505036
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Coordinates | 4505036.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Remacemide |
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Chemical name | 2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide |
Formula | C17 H20 N2 O |
Calculated formula | C17 H20 N2 O |
SMILES | O=C(NC(C)(c1ccccc1)Cc1ccccc1)CN |
Title of publication | Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures |
Authors of publication | Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2005 |
Journal volume | 5 |
Journal issue | 2 |
Pages of publication | 427 |
a | 8.92 ± 0.001 Å |
b | 16.524 ± 0.002 Å |
c | 9.857 ± 0.001 Å |
α | 90° |
β | 93.836 ± 0.01° |
γ | 90° |
Cell volume | 1449.6 ± 0.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1188 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.