Information card for entry 7053259

Structure parameters

• Common name: 1:1.5 complex of 1,4-di(bis(4'-hydroxyphenyl)methyl)benzene and Phenazine
• Chemical name: 1:1.5 complex of 1,4-di[bis(4'-hydroxyphenyl)methyl]benzene and Phenazine
• Formula: C50 H38 N3 O4
• Calculated formula: C50 H38 N3 O4
• Title of publication: Supramolecular networks of a H-shaped aromatic phenol host
• Authors of publication: Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 623
• a: 10.2976 ± 0.0008 Å
• b: 11.2084 ± 0.0009 Å
• c: 18.4225 ± 0.0015 Å
• α: 96.041 ± 0.001°
• β: 103.721 ± 0.001°
• γ: 102.7 ± 0.001°
• Cell volume: 1987.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1302
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No