Information card for entry 7251542

Structure parameters

• Chemical name: 1(9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)):1(O xylene)
• Formula: C46 H34 Cl2 O4
• Calculated formula: C46 H34 Cl2 O4
• Title of publication: Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil
• Authors of publication: Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 9.4967 ± 0.0003 Å
• b: 9.964 ± 0.0004 Å
• c: 11.4322 ± 0.0004 Å
• α: 64.5859 ± 0.0012°
• β: 75.1697 ± 0.0012°
• γ: 65.7342 ± 0.0011°
• Cell volume: 886.59 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0498
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No