Information card for entry 1556134

Structure parameters

• Formula: C43.82 H49.83 Cl3.45 N2 O2.67
• Calculated formula: C43.82 H49.83 Cl3.45 N2 O2.67
• Title of publication: Synthesis and characterization of isomerically pure anti- and syn-anthradiindole derivatives.
• Authors of publication: Balandier, Jean-Yves; Henry, Nicolas; Arlin, Jean-Baptiste; Sanguinet, Lionel; Lemaur, Vincent; Niebel, Claude; Chattopadhyay, Basab; Kennedy, Alan Robert; Leriche, Philippe; Blanchard, Philippe; Cornil, Jérôme; Geerts, Yves Henri
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 302 - 305
• a: 15.8497 ± 0.0009 Å
• b: 10.3321 ± 0.0006 Å
• c: 24.9736 ± 0.0014 Å
• α: 90°
• β: 95.678 ± 0.006°
• γ: 90°
• Cell volume: 4069.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No