Information card for entry 7131780

Structure parameters

• Formula: C17 H12 O2
• Calculated formula: C17 H12 O2
• Title of publication: Chemical resolution of spiroindanones and synthesis of chiroptical polymers with circularly polarized luminescence.
• Authors of publication: Du, Jiping; Li, Hui; Wu, Tanping; Wang, Menglei; Cheng, Rui; Wu, Di; Yang, Yudong; Lan, Jingbo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 17.755 ± 0.007 Å
• b: 5.479 ± 0.002 Å
• c: 6.556 ± 0.003 Å
• α: 90°
• β: 103.98 ± 0.02°
• γ: 90°
• Cell volume: 618.9 ± 0.4 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No