Information card for entry 7246662

Structure parameters

• Formula: C18 H18 N4 O
• Calculated formula: C18 H18 N4 O
• SMILES: O=C1N(C(=N/C1=C\c1c(NCc2ncccc2)cccc1)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: 29.3977 ± 0.0007 Å
• b: 12.9915 ± 0.0003 Å
• c: 8.0412 ± 0.0002 Å
• α: 90°
• β: 94.861 ± 0.001°
• γ: 90°
• Cell volume: 3060.05 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No