Information card for entry 4518027

Structure parameters

• Formula: C22 H20 Cl3 O3 P
• Calculated formula: C22 H20 Cl3 O3 P
• 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: 11.0373 ± 0.0003 Å
• b: 20.9634 ± 0.0004 Å
• c: 24.3544 ± 0.0005 Å
• α: 76.4018 ± 0.0017°
• β: 81.4278 ± 0.0017°
• γ: 80.7315 ± 0.0019°
• Cell volume: 5369.2 ± 0.2 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: 0.1094
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No