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Information card for entry 7213066
Preview
Coordinates | 7213066.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (5_a,7b_a,8_a,13_a,13a_a,16a_a,17_a)-7b-Bromo- 7b,8,13,13a,16a,17-hexahydro-5,8,13,17-tetraphenyl-5,17:8,13- diepoxynaphth[2',3'-2,3]azuleno[5,6-c][2]benzoxepin- 14(5H)-one |
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Formula | C62 H45 Br O4 |
Calculated formula | C62 H45 Br O4 |
Title of publication | Thermal cycloaddition reactions of azulene-1,5-quinones and azulene-1,7-quinones with cyclic dienes and cycloheptatriene |
Authors of publication | Mori, Akira; Yan, Yong Zhe; Kato, Nobuo; Takeshita, Hitoshi; Nozoe, Tetsuo |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 1999 |
Journal issue | 15 |
Pages of publication | 2129 |
a | 26.276 ± 0.004 Å |
b | 16.196 ± 0.003 Å |
c | 24.731 ± 0.002 Å |
α | 90° |
β | 112.66 ± 0.01° |
γ | 90° |
Cell volume | 9712 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.059 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1292 |
Weighted residual factors for all reflections included in the refinement | 0.1381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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