Information card for entry 4023447

Structure parameters

• Formula: C38 H36 O4
• Calculated formula: C38 H36 O4
• SMILES: C1#Cc2ccccc2OCCCCCOc2ccccc2C#Cc2ccccc2OCCCCCOc2ccccc12
• Title of publication: Synthetic Applications with Use of a Silica-Supported Alkyne Metathesis Catalyst
• Authors of publication: Hyeon Mo Cho; Haim Weissman; Jeffrey S. Moore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4256 - 4258
• a: 13.5686 ± 0.0005 Å
• b: 7.0838 ± 0.0003 Å
• c: 16.6718 ± 0.0006 Å
• α: 90°
• β: 103.212 ± 0.002°
• γ: 90°
• Cell volume: 1560.03 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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 all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No