Information card for entry 7226174

Structure parameters

• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• SMILES: O=C1N(C(=NC\1=C/c1c(O)ccc(OC)c1)C)C
• Title of publication: Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.
• Authors of publication: Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 24332 - 24342
• a: 13.6811 ± 0.0011 Å
• b: 11.8839 ± 0.0012 Å
• c: 7.3549 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1195.8 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No