Information card for entry 7250874

Structure parameters

• Formula: C62 H44 F12 N4
• Calculated formula: C62 H44 F12 N4
• Title of publication: Reversible mechanochromism and polarization modulation in an elastic organic crystal
• Authors of publication: Tang, Baolei; Yang, Xuesong; Chen, Donghe; Hu, Hanlin; Zhang, Hongyu
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 40
• Pages of publication: 6606 - 6610
• a: 8.2 ± 0.003 Å
• b: 18.575 ± 0.008 Å
• c: 18.646 ± 0.008 Å
• α: 104.466 ± 0.015°
• β: 93.783 ± 0.017°
• γ: 90.299 ± 0.016°
• Cell volume: 2743 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2125
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.3004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No