Information card for entry 1573807

Structure parameters

• Formula: C72 H76 Cl6 O4 P2
• Calculated formula: C72 H76 Cl6 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: 8.2286 ± 0.0003 Å
• b: 11.7231 ± 0.0004 Å
• c: 17.5716 ± 0.0006 Å
• α: 92.692 ± 0.001°
• β: 93.084 ± 0.001°
• γ: 108.449 ± 0.001°
• Cell volume: 1601.93 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No