Information card for entry 4021672

Structure parameters

• Formula: C34 H34 N2
• Calculated formula: C34 H34 N2
• SMILES: N(C)(C)Cc1c2[C@H]3C=C[C@@H](c2cc2ccccc12)C1(CN(C)C)c2ccccc2C3c2ccccc12.N(C)(C)Cc1c2[C@@H]3C=C[C@H](c2cc2ccccc12)C1(CN(C)C)c2ccccc2C3c2ccccc12
• Title of publication: Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt
• Authors of publication: Masahiro Horiguchi; Yoshikatsu Ito
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 3608 - 3611
• a: 9.7776 ± 0.0005 Å
• b: 13.6558 ± 0.0005 Å
• c: 9.8864 ± 0.0005 Å
• α: 90°
• β: 101.014 ± 0.0006°
• γ: 90°
• Cell volume: 1295.7 ± 0.1 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No