Information card for entry 4021673

Structure parameters

• Formula: C19 H19 N O4
• Calculated formula: C19 H19 N O4
• SMILES: [O-]C(=O)C(=O)O.[NH+](C)(C)Cc1c2ccccc2cc2ccccc12
• 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: 8.545 ± 0.002 Å
• b: 17.764 ± 0.005 Å
• c: 11.252 ± 0.002 Å
• α: 90°
• β: 110.089 ± 0.003°
• γ: 90°
• Cell volume: 1604 ± 0.7 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No