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Information card for entry 4036577
Preview
Coordinates | 4036577.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H24 F2 N2 |
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Calculated formula | C32 H24 F2 N2 |
SMILES | Fc1c(F)cc2nc3c(nc2c1)cc1c(c3)[C@]2(c3c(C4(c5c([C@@]1(C24C)C)cccc5)C)cccc3)C |
Title of publication | o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions. |
Authors of publication | Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2308 - 2319 |
a | 10.2489 ± 0.0005 Å |
b | 17.7216 ± 0.001 Å |
c | 13.0766 ± 0.0006 Å |
α | 90° |
β | 90.552 ± 0.005° |
γ | 90° |
Cell volume | 2375 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0601 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1276 |
Weighted residual factors for all reflections included in the refinement | 0.14 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.