Information card for entry 7241074

Structure parameters

• Formula: C36 H25 F6 N3 O2
• Calculated formula: C36 H25 F6 N3 O2
• SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)c1nc(c2c(n1)cccc2)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
• Title of publication: Preparation and photophysical properties of quinazoline-based fluorophores
• Authors of publication: Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 51
• Pages of publication: 30297 - 30303
• a: 9.488 ± 0.003 Å
• b: 9.778 ± 0.003 Å
• c: 16.834 ± 0.006 Å
• α: 105.688 ± 0.017°
• β: 97.397 ± 0.017°
• γ: 94.639 ± 0.012°
• Cell volume: 1480.1 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No