Information card for entry 7249420

Structure parameters

• Formula: C42 H38 N6 O2
• Calculated formula: C42 H38 N6 O2
• Title of publication: Examination of Photoinduced Radicals in Two Crystal Forms of Tri-phenylamine Bis-Urea Macrocycles.
• Authors of publication: Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 15.845 ± 0.003 Å
• b: 4.6481 ± 0.0009 Å
• c: 26.022 ± 0.005 Å
• α: 90°
• β: 104.992 ± 0.005°
• γ: 90°
• Cell volume: 1851.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.144
• Residual factor for significantly intense reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.2137
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No