Information card for entry 7248756

Structure parameters

• Common name: GAB
• Chemical name: (E)-amino((4-(4-(dimethylamino)styryl)phenyl)amino)methaniminium ethyl carbonate
• Formula: C18 H24 N6 O3
• Calculated formula: C18 H24 N6 O3
• SMILES: O(C(=O)[O-])CC.N(c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=[NH2+])N
• Title of publication: Light-swing CO2 capture: photoirradiation-based chemical CO2 release based on photoisomerization of azobenzene-amine/guanidine derivatives
• Authors of publication: Murakami, Ryo; Shiota, Keitaro; Uchida, Ayaka; Inagaki, Fuyuhiko
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 7406 - 7413
• a: 7.6781 ± 0.0004 Å
• b: 27.998 ± 0.0013 Å
• c: 9.1512 ± 0.0003 Å
• α: 90°
• β: 93.736 ± 0.004°
• γ: 90°
• Cell volume: 1963.07 ± 0.15 ų
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No