Information card for entry 4030205

Structure parameters

• Common name: 2a in manuscript
• Formula: C46 H42
• Calculated formula: C46 H42
• 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: 14.6419 ± 0.0006 Å
• b: 15.164 ± 0.0006 Å
• c: 17.0369 ± 0.0007 Å
• α: 90°
• β: 111.209 ± 0.001°
• γ: 90°
• Cell volume: 3526.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No