Information card for entry 4347990

Structure parameters

• Formula: C15 H16 N2 O4
• Calculated formula: C15 H16 N2 O4
• SMILES: O=C1N(C(=NC\1=C/c1c(O)ccc(c1)C(=O)OCC)C)C
• Title of publication: Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.
• Authors of publication: Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7257 - 7264
• a: 6.8414 ± 0.0002 Å
• b: 17.9762 ± 0.0004 Å
• c: 10.9752 ± 0.0003 Å
• α: 90°
• β: 93.984 ± 0.001°
• γ: 90°
• Cell volume: 1346.49 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No