Information card for entry 7055537

Structure parameters

• Chemical name: 4-arylidene-5-imidazolinone
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: Oc1ccc(cc1)/C=C1\N=C(N(C1=O)c1ccccc1)C
• Title of publication: PCl3-mediated synthesis of green/cyan fluorescent protein chromophores using amino acids
• Authors of publication: Singh, Thokchom Prasanta; Shunmugam, Raja
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3024
• a: 11.2845 ± 0.0008 Å
• b: 11.5944 ± 0.0008 Å
• c: 12.0744 ± 0.0009 Å
• α: 90°
• β: 114.97 ± 0.009°
• γ: 90°
• Cell volume: 1432.1 ± 0.2 ų
• Cell temperature: 290.8 ± 0.1 K
• Ambient diffraction temperature: 290.8 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No