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Information card for entry 7101402
Preview
Coordinates | 7101402.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 Hf |
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Calculated formula | C20 H20 Hf |
SMILES | [Hf]12345678(C#CC9CC9)([cH]9[cH]4[cH]3[cH]2[cH]19)(C#CC1CC1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Stereo-Electronic Interaction in Complex Molecules: Cyclopropyl Conjugation with Lewis Acidic Centres Across Connecting Carbon Carbon Triple Bonds |
Authors of publication | Gerhard Erker; Gereon Dierker; Roland Frohlich; Stefan Grimme; Gerald Kehr |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 37 |
a | 8.815 ± 0.001 Å |
b | 14.432 ± 0.001 Å |
c | 12.7 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1615.7 ± 0.2 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0235 |
Residual factor for significantly intense reflections | 0.0201 |
Weighted residual factors for significantly intense reflections | 0.0476 |
Weighted residual factors for all reflections included in the refinement | 0.0489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7101402.html
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Users of the data should acknowledge the original authors of the
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