Information card for entry 7155970

Structure parameters

• Formula: C24 H22 N2 O4
• Calculated formula: C24 H22 N2 O4
• Title of publication: Acid-Catalyzed Reaction of 2-Hydroxycyclobutanone with Benzylic Alcohols
• Authors of publication: Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo; Arca, Massimiliano; Sarais, Giorgia; Luridiana, Alberto; Martis, Alberto
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2017
• a: 19.2545 ± 0.0011 Å
• b: 15.5146 ± 0.001 Å
• c: 13.4314 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4012.3 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No