Information card for entry 1550341

Structure parameters

• Formula: C23 H15 Br2 N O S
• Calculated formula: C23 H15 Br2 N O S
• SMILES: Brc1ccc(N(c2ccc(c3ccc(C=O)s3)cc2)c2ccc(Br)cc2)cc1
• Title of publication: Spontaneously hierarchical self-assembly of nanofibres into fluorescent spherical particles: a leap from organogels to macroscopic solid spheres.
• Authors of publication: Shan, Yahan; Li, Shiwen; Wang, Rui; Zhu, Si Yi; Wu, Fei; Fu, Yang; Zhu, Linna
• Journal of publication: Soft matter
• Year of publication: 2019
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 470 - 476
• a: 6.9784 ± 0.0004 Å
• b: 7.3112 ± 0.0004 Å
• c: 21.0187 ± 0.0013 Å
• α: 81.743 ± 0.005°
• β: 89.701 ± 0.005°
• γ: 71.272 ± 0.005°
• Cell volume: 1004.12 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0386
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No