Information card for entry 1513555

Structure parameters

• Formula: C16 H10 Cl2 O
• Calculated formula: C16 H10 Cl2 O
• SMILES: Clc1cc(Cl)cc(C(=C)c2c3c(oc2)cccc3)c1
• Title of publication: Benzofuran derivatives from alkynyl-substituted benzynes and aryl halides.
• Authors of publication: Yuan, Weiming; Ma, Shengming
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 193 - 195
• a: 7.8959 ± 0.0011 Å
• b: 13.193 ± 0.0018 Å
• c: 25.493 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2655.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No