Information card for entry 7228103

Structure parameters

• Formula: C24 H26 N2 O2
• Calculated formula: C24 H26 N2 O2
• SMILES: C1=C(C([O-])=CC(=O)C1=[NH+][C@H](CC)c1ccccc1)N[C@H](CC)c1ccccc1
• Title of publication: Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions
• Authors of publication: Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 35
• Pages of publication: 21906
• a: 6.0492 ± 0.0004 Å
• b: 13.9149 ± 0.0009 Å
• c: 12.3077 ± 0.0008 Å
• α: 90°
• β: 97.355 ± 0.004°
• γ: 90°
• Cell volume: 1027.46 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No