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Information card for entry 4082720
Preview
Coordinates | 4082720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 N2 O |
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Calculated formula | C22 H32 N2 O |
SMILES | o1c(CN/C(=N\c2c(cccc2C(C)C)C(C)C)C(C)(C)C)ccc1 |
Title of publication | Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups |
Authors of publication | Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 6 |
Pages of publication | 1480 |
a | 14.9939 ± 0.0004 Å |
b | 16.1618 ± 0.0004 Å |
c | 8.5482 ± 0.0002 Å |
α | 90° |
β | 97.61 ± 0.002° |
γ | 90° |
Cell volume | 2053.23 ± 0.09 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0428 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.0912 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
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/4082720.html
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