Information card for entry 4030209

Structure parameters

• Common name: 3b in manuscript
• Formula: C46 H42 O6
• Calculated formula: C46 H42 O6
• SMILES: C1(C(C(=C(c2ccc(cc2)OC)c2c1cc(cc2)OC)c1ccc(cc1)OC)c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC
• 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: 9.6352 ± 0.0005 Å
• b: 11.5649 ± 0.0007 Å
• c: 18.7317 ± 0.0011 Å
• α: 97.6701 ± 0.0014°
• β: 103.632 ± 0.0013°
• γ: 111.834 ± 0.0013°
• Cell volume: 1825.52 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No