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Information card for entry 1542591
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1542591.cif |
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Original paper (by DOI) | HTML |
Chemical name | Quadruply Phenylene-fused Porphyrin Tape |
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Formula | C79.27 H80.86 N5.59 Zn |
Calculated formula | C79.282 H78.252 N5.594 Zn |
Title of publication | Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent |
Authors of publication | Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 7 |
Pages of publication | 4059 |
a | 10.0013 ± 0.0012 Å |
b | 14.5831 ± 0.001 Å |
c | 24.366 ± 0.004 Å |
α | 75.428 ± 0.016° |
β | 87.017 ± 0.019° |
γ | 71.26 ± 0.02° |
Cell volume | 3255.5 ± 0.8 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.0628 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1409 |
Weighted residual factors for all reflections included in the refinement | 0.1531 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1542591.html
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