Information card for entry 7238066

Structure parameters

• Formula: C26 H25 N O3
• Calculated formula: C26 H25 N O3
• SMILES: O=C(OCCN(Cc1ccccc1)Cc1ccccc1)/C=C/C(=O)c1ccccc1
• Title of publication: [2+2]Photocycloaddition of 2-(dibenzylamino)ethyl 3-benzoylacrylate in a crystalline state: weak intermolecular interactions as important factors determining efficiency of the solid-state photoreaction
• Authors of publication: Tadashi Hasegawa; Kaori Ikeda; Yuko Yamazaki
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Pages of publication: 3025 - 3028
• a: 9.556 ± 0.002 Å
• b: 14.124 ± 0.008 Å
• c: 8.881 ± 0.001 Å
• α: 90.3 ± 0.04°
• β: 108°
• γ: 105°
• Cell volume: 1096.4 ± 0.7 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 3.378
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No