Information card for entry 7234640

Structure parameters

• Formula: C53 H70 Br O2 P S2
• Calculated formula: C53 H70 Br O2 P S2
• Title of publication: Tuning the aggregation-induced enhanced emission behavior and self-assembly of phosphole-lipids
• Authors of publication: Zisu Wang; Benjamin S. Gelfand; Pengcheng Dong; Simon Trudel; Thomas Baumgartner
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2936 - 2944
• a: 9.5341 ± 0.0003 Å
• b: 14.4282 ± 0.0004 Å
• c: 18.4781 ± 0.0004 Å
• α: 85.0625 ± 0.0017°
• β: 77.5714 ± 0.0016°
• γ: 80.3446 ± 0.0013°
• Cell volume: 2443.82 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1021
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No