Information card for entry 7109755

Structure parameters

• Formula: C42 H28 F6 O6
• Calculated formula: C42 H28 F6 O6
• Title of publication: Gold-catalyzed cascade cycloisomerization of 1,7-diyn-3,6-bis(propargyl carbonate)s: stereoselective synthesis of naphtho[b]cyclobutenes
• Authors of publication: Ming Chen; Jun Liu; Lu Wang; Xiaobo Zhou; Yuanhong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8650
• a: 12.115 ± 0.002 Å
• b: 13.02 ± 0.003 Å
• c: 13.881 ± 0.003 Å
• α: 63.642 ± 0.004°
• β: 67.412 ± 0.004°
• γ: 70.127 ± 0.004°
• Cell volume: 1773 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No