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Information card for entry 1548145
Preview
Coordinates | 1548145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C160 H94 N2 |
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Calculated formula | C160 H94 N2 |
SMILES | N12c3c4c5c1c1c6c7c2c(c2cc(cc(c32)c2cc(cc(c42)c2c5c(cc(c2)C(C)(C)C)c1cc(c6)C(C)(C)C)C(C)(C)C)C(C)(C)C)ccc7.N12c3c4cccc3c3cc(cc5c3c1c1c3c5cc(cc3c3c5c(c6c(c4cc(c6)C(C)(C)C)c2c15)cc(c3)C(C)(C)C)C(C)(C)C)C(C)(C)C.c12c3c4c5c6c1c1c7c2c2c8c3c3c4c4c9c5c5c6c6c1c1c%10c7c7c2c2c8c8c3c3c4c4c9c9c5c5c6c1c1c6c%10c7c7c%10c6c6c1c5c9c1c4c4c3c8c(c%10c4c61)c27 |
Title of publication | Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>. |
Authors of publication | Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 4 |
Pages of publication | 819 - 824 |
a | 17.0175 ± 0.0008 Å |
b | 28.9186 ± 0.0013 Å |
c | 22.7929 ± 0.001 Å |
α | 90° |
β | 100.484 ± 0.001° |
γ | 90° |
Cell volume | 11029.6 ± 0.9 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1356 |
Residual factor for significantly intense reflections | 0.0969 |
Weighted residual factors for significantly intense reflections | 0.2411 |
Weighted residual factors for all reflections included in the refinement | 0.2627 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/1548145.html
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