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Information card for entry 4106762
Preview
Coordinates | 4106762.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H23 |
---|---|
Calculated formula | C31 H23 |
SMILES | C1(=c2c(cc3cccc4cccc2c34)C2=Cc3cccc4cccc(C12)c34)CCCC |
Title of publication | Synthesis, Crystal Structure, and Physical Properties of Sterically Unprotected Hydrocarbon Radicals |
Authors of publication | Takashi Kubo; Yoshiki Katada; Akihiro Shimizu; Yasukazu Hirao; Kazunobu Sato; Takeji Takui; Mikio Uruichi; Kyuya Yakushi; Robert C. Haddon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 14240 - 14243 |
a | 26.0073 ± 0.0008 Å |
b | 11.9479 ± 0.0004 Å |
c | 12.9923 ± 0.0005 Å |
α | 90° |
β | 92.082 ± 0.001° |
γ | 90° |
Cell volume | 4034.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 2 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.056 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1228 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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