Information card for entry 4030206

Structure parameters

• Common name: 3a in manuscript
• Formula: C46.25 H42 Cl0.28 O6.12
• Calculated formula: C46.258 H42 Cl0.2705 O6.1225
• Title of publication: Photolability of per-arylated butadienes: en route to dihydronaphthalenes.
• Authors of publication: Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 23
• Pages of publication: 11787 - 11791
• a: 13.3327 ± 0.0013 Å
• b: 14.1261 ± 0.0013 Å
• c: 22.859 ± 0.002 Å
• α: 80.065 ± 0.003°
• β: 79.996 ± 0.003°
• γ: 65.861 ± 0.003°
• Cell volume: 3844.3 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1721
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No