Information card for entry 1552495

Structure parameters

• Formula: C50 H47 I3 N2 O10
• Calculated formula: C50 H47 I3 N2 O10
• Title of publication: Spiropyran in Situ Switching: A Real-Time Fluorescence Strategy for Tracking DNA G-Quadruplexes in Live Cells.
• Authors of publication: Li, Jin; Yin, Xinchi; Li, Bin; Li, Xiaokang; Pan, Yuanjiang; Li, Jian; Guo, Yuan
• Journal of publication: Analytical chemistry
• Year of publication: 2019
• Journal volume: 91
• Journal issue: 8
• Pages of publication: 5354 - 5361
• a: 8.299 ± 0.003 Å
• b: 11.341 ± 0.004 Å
• c: 13.58 ± 0.005 Å
• α: 102.86 ± 0.005°
• β: 90.495 ± 0.006°
• γ: 100.374 ± 0.006°
• Cell volume: 1224.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No