Information card for entry 7103540

Structure parameters

• Formula: C60 H70 F6 N2 O19 S2
• Calculated formula: C60 H68 F6 N2 O19 S2
• Title of publication: Thiazepine moiety-controlled regioselective rearrangements of 7-oxanorbornadiene derivatives.
• Authors of publication: Ding, Hanfeng; Zhang, Yiping; Yao, Weijun; Xu, Duanjun; Ma, Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 5797 - 5799
• a: 14.258 ± 0.003 Å
• b: 15.677 ± 0.003 Å
• c: 17.381 ± 0.004 Å
• α: 97.49 ± 0.03°
• β: 106.18 ± 0.03°
• γ: 115.38 ± 0.03°
• Cell volume: 3228.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.3182
• Weighted residual factors for all reflections included in the refinement: 0.3553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No