Information card for entry 7238976

Structure parameters

• Formula: C30 H18 Cl2 N2 O
• Calculated formula: C30 H18 Cl2 N2 O
• Title of publication: An unexpected silver triflate-catalyzed reaction of 2-alkynylbenzaldoxime in the presence of benzoyl chloride
• Authors of publication: Liu, Gang; Liu, Hongliang; Pu, Shouzhi; Wu, Jie
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 27
• Pages of publication: 10666
• a: 8.781 ± 0.004 Å
• b: 10.43 ± 0.004 Å
• c: 13.144 ± 0.005 Å
• α: 87.774 ± 0.005°
• β: 82.039 ± 0.006°
• γ: 80.848 ± 0.005°
• Cell volume: 1176.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No