Information card for entry 1513479

Structure parameters

• Formula: C31 H34 O3
• Calculated formula: C31 H34 O3
• SMILES: C[C@@H]1C[C@@H]2[C@@]1(O)c1cc3c4ccccc4[C@@H]4[C@@](c3cc1c1c2cccc1)(O)[C@H](C4)C.CC(O)C
• Title of publication: Synthesis of Functionalized Polycyclic Aromatic Compounds via a Formal [2 + 2]-Cycloaddition.
• Authors of publication: Nagamoto, Yuuki; Yamaoka, Yousuke; Fujimura, Shun; Takemoto, Yoshiji; Takasu, Kiyosei
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1008 - 1011
• a: 9.904 ± 0.005 Å
• b: 10.686 ± 0.005 Å
• c: 12.143 ± 0.006 Å
• α: 107.112 ± 0.011°
• β: 97.167 ± 0.012°
• γ: 94.954 ± 0.011°
• Cell volume: 1208.3 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No