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Information card for entry 7227089
Preview
Coordinates | 7227089.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 N2 O |
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Calculated formula | C24 H24 N2 O |
SMILES | O=C(/C=C(\Nc1c(N)cc(cc1)C)Cc1ccc(cc1)C)c1ccccc1 |
Title of publication | Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones |
Authors of publication | Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 108 |
Pages of publication | 107081 |
a | 12.2036 ± 0.0007 Å |
b | 10.1274 ± 0.0005 Å |
c | 15.5213 ± 0.0008 Å |
α | 90° |
β | 93.535 ± 0.003° |
γ | 90° |
Cell volume | 1914.64 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0466 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 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/7227089.html
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Users of the data should acknowledge the original authors of the
structural data.