Information card for entry 4021675

Structure parameters

• Formula: C23 H27 N O4
• Calculated formula: C23 H27 N O4
• SMILES: [O-]C(=O)CCCCC(=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: 23.402 ± 0.001 Å
• b: 14.6147 ± 0.0006 Å
• c: 17.5801 ± 0.0009 Å
• α: 90°
• β: 137.473 ± 0.0009°
• γ: 90°
• Cell volume: 4064.2 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No