Information card for entry 4347993

Structure parameters

• Formula: C12 H11 Cl N2 O2
• Calculated formula: C12 H11 Cl N2 O2
• SMILES: Clc1ccc(O)c(/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: 6.8751 ± 0.0002 Å
• b: 8.0439 ± 0.0002 Å
• c: 10.0589 ± 0.0003 Å
• α: 92.1523 ± 0.0013°
• β: 96.7115 ± 0.0012°
• γ: 98.5268 ± 0.0012°
• Cell volume: 545.51 ± 0.03 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: 0.0426
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No