Information card for entry 7241037

Structure parameters

• Formula: C30 H20 O2
• Calculated formula: C30 H20 O2
• Title of publication: High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor
• Authors of publication: Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.8456 ± 0.0003 Å
• b: 8.3213 ± 0.0003 Å
• c: 9.5951 ± 0.0003 Å
• α: 93.0871 ± 0.001°
• β: 113.677 ± 0.001°
• γ: 114.38 ± 0.0009°
• Cell volume: 504.1 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0398
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No