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Information card for entry 4027963
Preview
Coordinates | 4027963.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H28 N2 O |
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Calculated formula | C19 H28 N2 O |
SMILES | O=C(N1[C@@]2(C)CC([C@@H]1CCC2)(C)C)[C@@H](N)Cc1ccccc1 |
Title of publication | C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines |
Authors of publication | David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 1508 - 1518 |
a | 9.3133 ± 0.0001 Å |
b | 10.441 ± 0.0001 Å |
c | 18.1294 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1762.91 ± 0.03 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0331 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for all reflections | 0.0855 |
Weighted residual factors for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9918 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027963.html
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structural data.