Information card for entry 7053016

Structure parameters

• Common name: 4,4'-(phenylmethylene)bis(methoxybenzene)
• Chemical name: 4,4'-(phenylmethylene)bis(methoxybenzene)
• Formula: C21 H20 O2
• Calculated formula: C21 H20 O2
• SMILES: C(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols
• Authors of publication: Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 563
• a: 5.9087 ± 0.0002 Å
• b: 12.77 ± 0.0005 Å
• c: 21.8373 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1647.71 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No