Information card for entry 4347992

Structure parameters

• Formula: C12 H11 Br N2 O
• Calculated formula: C12 H11 Br N2 O
• SMILES: Brc1cccc(/C=C/2N=C(N(C2=O)C)C)c1
• 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: 7.5315 ± 0.0006 Å
• b: 8.0931 ± 0.0007 Å
• c: 20.7005 ± 0.0016 Å
• α: 91.05 ± 0.002°
• β: 90.542 ± 0.002°
• γ: 117.54 ± 0.002°
• Cell volume: 1118.37 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No