Information card for entry 7134557

Structure parameters

• Formula: C31 H29 N O2
• Calculated formula: C31 H29 N O2
• Title of publication: A switchable red-emitting fluorophore involving a 7.6.6 defect
• Authors of publication: Dutta, Arnab; Dzieszkowski, Krzysztof; Kijewska, Monika; Siczek, Miłosz; Orzeł, Łukasz; Pawlicki, Miłosz
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9424 - 9427
• a: 20.5218 ± 0.0015 Å
• b: 10.6991 ± 0.0007 Å
• c: 10.4618 ± 0.0008 Å
• α: 90°
• β: 90.148 ± 0.004°
• γ: 90°
• Cell volume: 2297 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.2417
• Residual factor for significantly intense reflections: 0.1923
• Weighted residual factors for significantly intense reflections: 0.3271
• Weighted residual factors for all reflections included in the refinement: 0.3512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No