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Information card for entry 1512037
Preview
Coordinates | 1512037.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 O2 |
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Calculated formula | C36 H42 O2 |
SMILES | CCCCCCCCc1cc2cccc3c2c2c1oc1cccc4c1c2c(o3)c(c4)CCCCCCCC |
Title of publication | Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene |
Authors of publication | Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng |
Journal of publication | Organic Letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 10 |
Pages of publication | 2382 |
a | 36.68 ± 0.012 Å |
b | 4.7179 ± 0.0016 Å |
c | 16.708 ± 0.006 Å |
α | 90° |
β | 105.089 ± 0.006° |
γ | 90° |
Cell volume | 2791.7 ± 1.7 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0941 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1491 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1512037.html
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