Information card for entry 2219763

Structure parameters

• Chemical name: 2,6-Bis(prop-2-ynyloxy)naphthalene
• Formula: C16 H12 O2
• Calculated formula: C16 H12 O2
• SMILES: C#CCOc1ccc2c(c1)ccc(c2)OCC#C
• Title of publication: 2,6-Bis(prop-2-ynyloxy)naphthalene
• Authors of publication: Yao, Li; Tao, Ruo-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2081
• a: 7.5783 ± 0.0011 Å
• b: 8.0295 ± 0.0012 Å
• c: 20.972 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1276.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes