Information card for entry 4030204

Structure parameters

• Common name: 1a in manuscript
• Formula: C40 H30
• Calculated formula: C40 H30
• SMILES: C(=C(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.5249 ± 0.001 Å
• b: 10.3261 ± 0.0011 Å
• c: 16.1226 ± 0.0017 Å
• α: 77.226 ± 0.002°
• β: 82.154 ± 0.002°
• γ: 69.713 ± 0.002°
• Cell volume: 1447.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No