Information card for entry 1573810

Structure parameters

• Formula: C70 H71.53 O4 P2
• Calculated formula: C70 H71.5333 O4 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: 58.8812 ± 0.0019 Å
• b: 8.3047 ± 0.0003 Å
• c: 34.7288 ± 0.0011 Å
• α: 90°
• β: 97.344 ± 0.001°
• γ: 90°
• Cell volume: 16842.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0915
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No