Information card for entry 7236423

Structure parameters

• Formula: C24 H16.5 N1.5 O
• Calculated formula: C24 H16.5 N1.5 O
• Title of publication: Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure–property relationships and bio-imaging applications
• Authors of publication: Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 2785
• a: 22.153 ± 0.003 Å
• b: 9.6897 ± 0.0014 Å
• c: 17.251 ± 0.003 Å
• α: 90°
• β: 95.937 ± 0.002°
• γ: 90°
• Cell volume: 3683.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No