Information card for entry 2002980

Structure parameters

• Chemical name: 1,1,1-Tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
• Formula: C33 H30 N2 O4
• Calculated formula: C33 H30 N2 O4
• Title of publication: Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
• Authors of publication: Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 591 - 600
• a: 22.811 ± 0.003 Å
• b: 22.029 ± 0.003 Å
• c: 10.7965 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5425.3 ± 1.1 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No