Information card for entry 7235615

Structure parameters

• Formula: C24 H24 O4
• Calculated formula: C24 H24 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: 5.975 ± 0.007 Å
• b: 10.756 ± 0.013 Å
• c: 16.56 ± 0.02 Å
• α: 73.702 ± 0.014°
• β: 87.212 ± 0.014°
• γ: 83.25 ± 0.02°
• Cell volume: 1014 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3118
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No