Information card for entry 4116107

Structure parameters

• Formula: C24 H16 O2
• Calculated formula: C24 H16 O2
• SMILES: C1#Cc2cccc(C#CCOCC#Cc3cccc(C#CCOC1)c3)c2
• Title of publication: A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether Units: Synthesis and Novel Ag±Induced Cyclization Leading to the Perylene Skeleton Formation
• Authors of publication: Yoshihiro Yamaguchi; Shigeya Kobayashi; Tateaki Wakamiya; Yoshio Matsubara; Zen-ichi Yoshida
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 7404 - 7405
• a: 11.113 ± 0.001 Å
• b: 4.1207 ± 0.0006 Å
• c: 19.5511 ± 0.0008 Å
• α: 90°
• β: 101.064 ± 0.001°
• γ: 90°
• Cell volume: 878.67 ± 0.15 ų
• Cell temperature: 295.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No