Information card for entry 7220886

Structure parameters

• Formula: C17 H23 N3 O2
• Calculated formula: C17 H23 N3 O2
• SMILES: O=C1N(C(=N/C1=C\c1cc(N(CC)CC)ccc1OC)C)C
• 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: 10.896 ± 0.006 Å
• b: 7.886 ± 0.005 Å
• c: 19.222 ± 0.009 Å
• α: 90°
• β: 94.135 ± 0.012°
• γ: 90°
• Cell volume: 1647.4 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1602
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No