Information card for entry 7235610

Structure parameters

• Formula: C22 H20 O4
• Calculated formula: C22 H20 O4
• Title of publication: Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit
• Authors of publication: Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 36
• Pages of publication: 18904
• a: 17.4674 ± 0.0016 Å
• b: 22.482 ± 0.002 Å
• c: 9.5117 ± 0.0009 Å
• α: 90°
• β: 90.222 ± 0.006°
• γ: 90°
• Cell volume: 3735.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No