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Information card for entry 7216906
Preview
Coordinates | 7216906.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-methyl-4,6-diphenyl-2-dicyanomethylene-1,2,5,6-tetrahydronicotinonitrile |
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Formula | C25 H22 N4 O |
Calculated formula | C25 H22 N4 O |
SMILES | O=C(C)C.N1C(=C(C#N)C#N)C(=C(CC1(C)c1ccccc1)c1ccccc1)C#N |
Title of publication | Regiochemistry in alkylation, acylation and methoxycarbonylation of alkali salts from 2-substituted alkenylpropanedinitriles |
Authors of publication | Karlsen, Hege; Songe, Pål H.; Sunsby, Lise Kristin; Hagen, Lise Cathrine; Kolsaker, Per; Rømming, Christian |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2001 |
Journal issue | 5 |
Pages of publication | 497 |
a | 7.0992 ± 0.0001 Å |
b | 18.2612 ± 0.0003 Å |
c | 16.496 ± 0.0003 Å |
α | 90° |
β | 100.472 ± 0.001° |
γ | 90° |
Cell volume | 2102.92 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0764 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1424 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/7216906.html
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