Information card for entry 7134579

Structure parameters

• Common name: compound 1
• Chemical name: bridged rhodamine
• Formula: C32 H30 F6 N2 O7
• Calculated formula: C32 H30 F6 N2 O7
• Title of publication: Design strategy for tautomerization-based small panchromatic molecules
• Authors of publication: Tanioka, Masaru; Kitamura, Fumino; Oyama, Masaya; Chen, Shiyu; Ohishi, Yuki; Yamada, Tsuyoshi; Matsuya, Yuji
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 51
• Pages of publication: 9298 - 9301
• a: 10.3718 ± 0.0001 Å
• b: 56.7017 ± 0.0007 Å
• c: 16.5454 ± 0.0002 Å
• α: 90°
• β: 105.472 ± 0.001°
• γ: 90°
• Cell volume: 9377.71 ± 0.19 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No