Information card for entry 4514556

Structure parameters

• Formula: C35 H35 Br F6 N4 O4 P Re
• Calculated formula: C35 H35 Br F6 N4 O4 P Re
• Title of publication: Versatile Strategy To Generate a Rhodamine Triplet State as Mitochondria-Targeting Visible-Light Photosensitizers for Efficient Photodynamic Therapy.
• Authors of publication: Liu, Chuangjun; Zhou, Lihua; Wei, Fangfang; Li, Ling; Zhao, Shunan; Gong, Ping; Cai, Lintao; Wong, Keith Man-Chung
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 8797 - 8806
• a: 16.661 ± 0.003 Å
• b: 13.734 ± 0.002 Å
• c: 16.996 ± 0.003 Å
• α: 90°
• β: 90.046 ± 0.005°
• γ: 90°
• Cell volume: 3889.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1665
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.2666
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No