Information card for entry 8000198

Structure parameters

• Formula: C14 H12.8 N4 O1.4
• Calculated formula: C14 H12.8 N4 O1.4
• Title of publication: Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond
• Authors of publication: Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 92
• a: 8.761 ± 0.002 Å
• b: 16.167 ± 0.005 Å
• c: 9.689 ± 0.003 Å
• α: 90°
• β: 108.314 ± 0.004°
• γ: 90°
• Cell volume: 1302.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No