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Information card for entry 4028036
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Coordinates | 4028036.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | hexakis(5-methylfuran-2-yl)benzene |
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Chemical name | hexakis(5-methylfuran-2-yl)benzene |
Formula | C36 H30 O6 |
Calculated formula | C36 H30 O6 |
SMILES | c1(c(c(c2oc(cc2)C)c(c(c1c1oc(cc1)C)c1oc(cc1)C)c1ccc(C)o1)c1oc(cc1)C)c1ccc(o1)C |
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 | 7.657 ± 0.004 Å |
b | 8.565 ± 0.005 Å |
c | 11.673 ± 0.007 Å |
α | 98.048 ± 0.01° |
β | 101.158 ± 0.007° |
γ | 97.855 ± 0.008° |
Cell volume | 733 ± 0.7 Å3 |
Cell temperature | 93.15 K |
Ambient diffraction temperature | 93.15 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0634 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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