Information card for entry 4518026

Structure parameters

• Formula: C60 H74 O6 P2
• Calculated formula: C60 H74 O6 P2
• Title of publication: Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.
• Authors of publication: Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 37
• Pages of publication: 23621 - 23630
• a: 6.07681 ± 0.00012 Å
• b: 12.5823 ± 0.0003 Å
• c: 18.8446 ± 0.0006 Å
• α: 70.567 ± 0.003°
• β: 81.108 ± 0.002°
• γ: 85.4235 ± 0.0018°
• Cell volume: 1341.83 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No