Information card for entry 7236422

Structure parameters

• Formula: C30 H29 N O5
• Calculated formula: C30 H29 N O5
• 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: 5.0966 ± 0.0011 Å
• b: 12.219 ± 0.003 Å
• c: 20.093 ± 0.004 Å
• α: 96.803 ± 0.003°
• β: 96.243 ± 0.003°
• γ: 97.956 ± 0.003°
• Cell volume: 1220.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1781
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No