Information card for entry 7234631

Structure parameters

• Formula: C19 H15 N3 O2
• Calculated formula: C19 H15 N3 O2
• SMILES: o1c(nc2c1cccc2)c1ccc(cc1)/C=C1\N=C(N(C1=O)C)C
• Title of publication: Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics
• Authors of publication: Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2793 - 2801
• a: 7.558 ± 0.002 Å
• b: 13.561 ± 0.003 Å
• c: 14.948 ± 0.004 Å
• α: 88.586 ± 0.011°
• β: 88.421 ± 0.012°
• γ: 89.548 ± 0.011°
• Cell volume: 1531 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2605
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.2928
• Weighted residual factors for all reflections included in the refinement: 0.362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No