Information card for entry 1575483

Structure parameters

• Formula: C41 H41 F6 N2 O7 P S
• Calculated formula: C41 H40.8485 F6 N2 O7 P S
• Title of publication: Unsymmetric thieno-phospha-rhodamines: a new class of near-infrared fluorescent probes for stimuli-responsive organelle imaging.
• Authors of publication: Ma, Sibo; Asada, Yuichi; Yamaguchi, Shigehiro; Taki, Masayasu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 76
• Pages of publication: 14653 - 14656
• a: 10.1982 ± 0.0004 Å
• b: 14.351 ± 0.0006 Å
• c: 15.6944 ± 0.0007 Å
• α: 114.008 ± 0.004°
• β: 98.048 ± 0.004°
• γ: 95.365 ± 0.003°
• Cell volume: 2048.62 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No