Information card for entry 7235616

Structure parameters

• Formula: C24 H24 O5
• Calculated formula: C24 H24 O5
• 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: 20.0985 ± 0.0011 Å
• b: 8.38 ± 0.0004 Å
• c: 12.1731 ± 0.0006 Å
• α: 90°
• β: 91.639 ± 0.002°
• γ: 90°
• Cell volume: 2049.42 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.1312
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.3576
• Weighted residual factors for all reflections included in the refinement: 0.3896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No