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Information card for entry 1548907
Preview
Coordinates | 1548907.cif |
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Original paper (by DOI) | HTML |
Formula | C56 H65 N7 P2 Ti |
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Calculated formula | C56 H65 N7 P2 Ti |
SMILES | [Ti]123([P](c4c(N1c1c([P](C(C)C)C(C)C)cc(cc1)C)ccc(c4)C)(C(C)C)C(C)C)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.n1ccccc1c1ncccc1 |
Title of publication | Room temperature olefination of methane with titanium-carbon multiple bonds. |
Authors of publication | Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 13 |
Pages of publication | 3376 - 3385 |
a | 11.835 ± 0.002 Å |
b | 19.146 ± 0.003 Å |
c | 22.47 ± 0.004 Å |
α | 90° |
β | 102.101 ± 0.008° |
γ | 90° |
Cell volume | 4978.4 ± 1.5 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.1012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1548907.html
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