Information card for entry 4518025

Structure parameters

• Formula: C46 H46 O6 P2
• Calculated formula: C46 H46 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: 11.8617 ± 0.0007 Å
• b: 14.6759 ± 0.0008 Å
• c: 11.3999 ± 0.0007 Å
• α: 90°
• β: 96.235 ± 0.005°
• γ: 90°
• Cell volume: 1972.8 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No