Information card for entry 4025207

Structure parameters

• Formula: C43 H26 Cl2 O
• Calculated formula: C43 H24 Cl2 O
• Title of publication: Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds
• Authors of publication: Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 906 - 913
• a: 13.862 ± 0.008 Å
• b: 18.871 ± 0.009 Å
• c: 13.182 ± 0.007 Å
• α: 90°
• β: 112.2 ± 1°
• γ: 90°
• Cell volume: 3193 ± 2 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No