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Information card for entry 4029613
Preview
Coordinates | 4029613.cif |
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Original paper (by DOI) | HTML |
Chemical name | 5,5-diphenyl-10,15,20-tris(pentafluorophenyl)phlorin |
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Formula | C55 H26 F15 N5 |
Calculated formula | C55 H26 F15 N5 |
Title of publication | Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position. |
Authors of publication | Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 12 |
Pages of publication | 5664 - 5672 |
a | 8.3212 ± 0.0009 Å |
b | 14.29 ± 0.0015 Å |
c | 24.645 ± 0.003 Å |
α | 103.203 ± 0.007° |
β | 95.918 ± 0.007° |
γ | 103.877 ± 0.005° |
Cell volume | 2730.9 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.066 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.2435 |
Weighted residual factors for all reflections included in the refinement | 0.2484 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.237 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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