Information card for entry 7236420

Structure parameters

• Formula: C33 H24 N2 O
• Calculated formula: C33 H24 N2 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: 53.673 ± 0.005 Å
• b: 6.5539 ± 0.0006 Å
• c: 14.3225 ± 0.0014 Å
• α: 90°
• β: 103.843 ± 0.001°
• γ: 90°
• Cell volume: 4891.9 ± 0.8 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: 0.077
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No