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Information card for entry 4108796
Preview
Coordinates | 4108796.cif |
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Original paper (by DOI) | HTML |
Formula | C104 H68 N6 O |
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Calculated formula | C104 H67.9998 N6 O |
Title of publication | A Facile One-Pot Synthesis of meso-Aryl-Substituted [14]Triphyrin(2.1.1) |
Authors of publication | Zhao-Li Xue; Zhen Shen; John Mack; Daiki Kuzuhara; Hiroko Yamada; Tetsuo Okujima; Noboru Ono; Xiao-Zeng You; Nagao Kobayashi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16478 - 16479 |
a | 10.5097 ± 0.0007 Å |
b | 13.7167 ± 0.0009 Å |
c | 27.347 ± 0.002 Å |
α | 76.727 ± 0.002° |
β | 83.313 ± 0.004° |
γ | 76.375 ± 0.003° |
Cell volume | 3720.9 ± 0.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0806 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.