Information card for entry 7246661

Structure parameters

• Formula: C18 H18 N6 O7 Zn
• Calculated formula: C18 H18 N6 O7 Zn
• SMILES: [Zn]123(ON(=O)=[O]1)(ON(=O)=O)[n]1ccccc1C[NH]2c1ccccc1C=C1[N]3=C(N(C1=O)C)C
• Title of publication: 7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence?
• Authors of publication: Ke, Hao-Wei; Sung, Kuangsen
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 14627 - 14634
• a: 13.1168 ± 0.0009 Å
• b: 14.3578 ± 0.0011 Å
• c: 11.4115 ± 0.0008 Å
• α: 90°
• β: 114.778 ± 0.002°
• γ: 90°
• Cell volume: 1951.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No