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Information card for entry 4028037
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Coordinates | 4028037.cif |
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Original paper (by DOI) | HTML |
Common name | Hexakis(5-Bpinfuran-2-yl)benzene |
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Chemical name | Hexakis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-2-furyl]benzene |
Formula | C80 H100 B6 O18 |
Calculated formula | C80 H100 B6 O18 |
Title of publication | Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives |
Authors of publication | Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 2763 - 2768 |
a | 16.951 ± 0.002 Å |
b | 25.304 ± 0.003 Å |
c | 19.179 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8226.4 ± 1.9 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0754 |
Residual factor for significantly intense reflections | 0.071 |
Weighted residual factors for significantly intense reflections | 0.1916 |
Weighted residual factors for all reflections included in the refinement | 0.1961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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