Information card for entry 7119911

Structure parameters

• Formula: C27 H40 I N2 O3 P
• Calculated formula: C27 H37.5 I N2 O3 P
• Title of publication: Light up detection of heparin based on aggregation-induced emission and synergistic counter ion displacement.
• Authors of publication: Li, Shiwu; Gao, Meng; Wang, Shuxia; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 4795 - 4798
• a: 24.2819 ± 0.0006 Å
• b: 9.3561 ± 0.0002 Å
• c: 25.4208 ± 0.0007 Å
• α: 90°
• β: 90.908 ± 0.002°
• γ: 90°
• Cell volume: 5774.5 ± 0.2 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No