Information card for entry 1513480

Structure parameters

• Formula: C30 H30 O2
• Calculated formula: C30 H30 O2
• SMILES: CO[C@H](Cc1cc2ccccc2c2c1cc1c(c2)c(C[C@H](OC)C)cc2c1cccc2)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: 4.8479 ± 0.0007 Å
• b: 14.348 ± 0.003 Å
• c: 16.644 ± 0.003 Å
• α: 87.138 ± 0.004°
• β: 81.679 ± 0.004°
• γ: 80.307 ± 0.004°
• Cell volume: 1128.8 ± 0.4 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: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No