Information card for entry 7109754

Structure parameters

• Formula: C27 H14 F6 O3
• Calculated formula: C27 H14 F6 O3
• 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: 10.0834 ± 0.0008 Å
• b: 13.2013 ± 0.0011 Å
• c: 17.3962 ± 0.0014 Å
• α: 90°
• β: 97.352 ± 0.002°
• γ: 90°
• Cell volume: 2296.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No