Information card for entry 7234634

Structure parameters

• Formula: C30 H37 N3 O2
• Calculated formula: C30 H37 N3 O2
• 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: 25.4404 ± 0.0009 Å
• b: 7.3304 ± 0.0003 Å
• c: 13.9803 ± 0.0004 Å
• α: 90°
• β: 98.003 ± 0.001°
• γ: 90°
• Cell volume: 2581.77 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0681
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No