Information card for entry 7061150

Structure parameters

• Formula: C20 H25 N3 O2
• Calculated formula: C20 H25 N3 O2
• SMILES: O(C(=O)c1[nH]c2c(n(c(c3ccc(N(CC)CC)cc3)c2)C)c1)CC
• Title of publication: Synthesis and fluorescence properties of unsymmetrical 1,4-dihydropyrrolo[3,2-b]pyrrole dyes
• Authors of publication: Kubota, Yasuhiro; Koide, Kenta; Mizuno, Yuka; Nakazawa, Masato; Inuzuka, Toshiyasu; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1533 - 1542
• a: 10.6244 ± 0.0003 Å
• b: 12.3177 ± 0.0003 Å
• c: 14.0897 ± 0.0006 Å
• α: 90.747 ± 0.003°
• β: 96.017 ± 0.003°
• γ: 93.379 ± 0.002°
• Cell volume: 1830.2 ± 0.1 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 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 all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No