Information card for entry 2220102

Structure parameters

• Chemical name: 2,3-bis(prop-2-ynyloxy)naphthalene
• Formula: C16 H12 O2
• Calculated formula: C16 H12 O2
• SMILES: C#CCOc1cc2ccccc2cc1OCC#C
• Title of publication: 2,3-Bis(prop-2-ynyloxy)naphthalene
• Authors of publication: Yang, Guo-Zhong; Li, Fu-An
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2383
• a: 8.2921 ± 0.0012 Å
• b: 9.0457 ± 0.0014 Å
• c: 33.07 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes