Information card for entry 7713628

Structure parameters

• Formula: C34 H29 O P
• Calculated formula: C34 H29 O P
• Title of publication: Synthesis and properties of photoluminescent phosphorus-doped triptycenes
• Authors of publication: Gao, Zengye; Wang, Yue; Zhou, Yang; Yuan, Bingxin; Duan, Zheng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 18.9734 ± 0.0005 Å
• b: 9.5831 ± 0.0002 Å
• c: 14.5616 ± 0.0004 Å
• α: 90°
• β: 104.341 ± 0.003°
• γ: 90°
• Cell volume: 2565.14 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No