Information card for entry 7153714

Structure parameters

• Formula: C38 H26 Cl2 N4 O3
• Calculated formula: C38 H26 Cl2 N4 O3
• Title of publication: Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.
• Authors of publication: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 2784 - 2791
• a: 13.0039 ± 0.0003 Å
• b: 14.398 ± 0.0003 Å
• c: 18.6793 ± 0.0004 Å
• α: 99.561 ± 0.007°
• β: 91.793 ± 0.007°
• γ: 103.561 ± 0.007°
• Cell volume: 3343.59 ± 0.18 ų
• Cell temperature: 117 K
• Ambient diffraction temperature: 117 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No