Information card for entry 7235613

Structure parameters

• Formula: C24 H22 O4
• Calculated formula: C24 H22 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: 8.903 ± 0.004 Å
• b: 23.11 ± 0.01 Å
• c: 10.38 ± 0.005 Å
• α: 90°
• β: 108.38 ± 0.01°
• γ: 90°
• Cell volume: 2026.7 ± 1.6 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: 0.0773
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No