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Information card for entry 7110682
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7110682.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H26 N2 O |
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Calculated formula | C19 H26 N2 O |
SMILES | O=C(N(C(C)C)C(C)C)c1cccc2cccc(N(C)C)c12 |
Title of publication | Bonded peri-interactions govern the rate of racemisation of atropisomeric 8-substituted 1-naphthamides† |
Authors of publication | Clayden, Jonathan; McCarthy, Catherine; Helliwell, Madeleine |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 20 |
Pages of publication | 2059 |
a | 15.514 ± 0.006 Å |
b | 15.239 ± 0.002 Å |
c | 15.305 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3618.4 ± 1.6 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 K |
Number of distinct elements | 4 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0911 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for all reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.0455 |
Goodness-of-fit parameter for all reflections | 2.843 |
Goodness-of-fit parameter for significantly intense reflections | 3.508 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/7110682.html
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Users of the data should acknowledge the original authors of the
structural data.