Information card for entry 7251543

Structure parameters

• Chemical name: (9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)):2(p xylene)
• Formula: C54 H44 Cl2 O4
• Calculated formula: C54 H44 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: 10.3526 ± 0.0004 Å
• b: 10.677 ± 0.0004 Å
• c: 10.885 ± 0.0004 Å
• α: 111.158 ± 0.001°
• β: 95.138 ± 0.001°
• γ: 102.671 ± 0.001°
• Cell volume: 1075.75 ± 0.07 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: 0.0607
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No