Information card for entry 1573808

Structure parameters

• Formula: C70 H80.01 O7 P2
• Calculated formula: C70 H80.0066 O7 P2
• Title of publication: From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.
• Authors of publication: Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 3680 - 3692
• a: 22.2953 ± 0.001 Å
• b: 32.7948 ± 0.001 Å
• c: 8.1542 ± 0.0003 Å
• α: 90°
• β: 101.91 ± 0.002°
• γ: 90°
• Cell volume: 5833.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No