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Information card for entry 7152859
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7152859.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 N6 O |
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Calculated formula | C21 H24 N6 O |
SMILES | O=C(NN1C(c2ccccc2CC1)c1nnnn1C(C)(C)C)c1ccccc1 |
Title of publication | A three-component reaction of C,N-cyclic N'-acyl azomethine imines, isocyanides, and azide compounds: effective synthesis of 1,5-disubstituted tetrazoles with tetrahydroisoquinoline skeletons. |
Authors of publication | Soeta, Takahiro; Tamura, Kaname; Fujinami, Shuhei; Ukaji, Yutaka |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2013 |
Journal volume | 11 |
Journal issue | 13 |
Pages of publication | 2168 - 2174 |
a | 10.2116 ± 0.0007 Å |
b | 19.269 ± 0.001 Å |
c | 10.7192 ± 0.0007 Å |
α | 90° |
β | 113.424 ± 0.001° |
γ | 90° |
Cell volume | 1935.4 ± 0.2 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 significantly intense reflections | 0.0493 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.294 |
Diffraction radiation wavelength | 0.7107 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/7152859.html
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