Information card for entry 7125717

Structure parameters

• Formula: C43 H40 B F2 N3 O S
• Calculated formula: C43 H40 B F2 N3 O S
• Title of publication: An exceptionally long-lived triplet state of red light-absorbing compact phenothiazine-styrylBodipy electron donor/acceptor dyads: a better alternative to the heavy atom-effect?
• Authors of publication: Hou, Yuqi; Liu, Qingyun; Zhao, Jianzhang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1721 - 1724
• a: 32.32 ± 0.004 Å
• b: 16.5482 ± 0.0018 Å
• c: 16.796 ± 0.002 Å
• α: 90°
• β: 118.803 ± 0.002°
• γ: 90°
• Cell volume: 7871.8 ± 1.6 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 7
• 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: 0.2304
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.3812
• Weighted residual factors for all reflections included in the refinement: 0.4301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.363
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No