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Information card for entry 7241267
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Coordinates | 7241267.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-propenoate chloride |
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Formula | C19 H23 Cl N3 O2.5 |
Calculated formula | C19 H23 Cl N3 O2.5 |
Title of publication | Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds? |
Authors of publication | Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 48.482 ± 0.0018 Å |
b | 22.8029 ± 0.0009 Å |
c | 6.746 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7457.9 ± 0.5 Å3 |
Cell temperature | 260 ± 2 K |
Ambient diffraction temperature | 260 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.0965 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7241267.html
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structural data.