Information card for entry 1572984

Structure parameters

• Formula: C124 H76 N4
• Calculated formula: C124 H76 N4
• Title of publication: Organic Dopant Cyclization and Significantly Improved RTP Properties
• Authors of publication: Zhang, Shiguo; Liu, Guanyu; Mao, Zhichao; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 11.5151 ± 0.0005 Å
• b: 13.9307 ± 0.0006 Å
• c: 14.1697 ± 0.0006 Å
• α: 91.208 ± 0.002°
• β: 113.822 ± 0.001°
• γ: 93.799 ± 0.002°
• Cell volume: 2071.94 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No