Information card for entry 7135732

Structure parameters

• Formula: C27 H16 N2 O
• Calculated formula: C27 H16 N2 O
• Title of publication: peri-Selective C−H Activation-Initiated Spiroannulation Leading to Spiro Polycyclic Compounds with Unique Photo-Physical Property and Strong Anticancer Activity
• Authors of publication: Zhou, Qianting; Zou, Jiayi; Xu, Haiyun; Gong, Yijun; Ma, Chunhua; Zhang, Xinying; Fan, Xuesen
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 12.8646 ± 0.0003 Å
• b: 13.5761 ± 0.0002 Å
• c: 21.4206 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3741.13 ± 0.12 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No