Information card for entry 4347994

Structure parameters

• Formula: C12 H12 N2 O3
• Calculated formula: C12 H12 N2 O3
• SMILES: O=C1N(C(=N/C1=C\c1c(O)ccc(O)c1)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: 7.0858 ± 0.0002 Å
• b: 7.1022 ± 0.0002 Å
• c: 11.1505 ± 0.0004 Å
• α: 79.694 ± 0.001°
• β: 78.502 ± 0.001°
• γ: 78.265 ± 0.001°
• Cell volume: 532.76 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No