Information card for entry 7220887

Structure parameters

• Formula: C16 H20 N2 O3
• Calculated formula: C16 H20 N2 O3
• SMILES: c1(cc(c(cc1)/C=C\1C(=O)OC(=N1)C)OC)N(CC)CC
• Title of publication: Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.
• Authors of publication: Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 32
• Pages of publication: 20515 - 20521
• a: 7.1834 ± 0.0005 Å
• b: 12.7135 ± 0.0008 Å
• c: 16.514 ± 0.0011 Å
• α: 90°
• β: 97.201 ± 0.002°
• γ: 90°
• Cell volume: 1496.26 ± 0.17 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: 0.0405
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.754
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No