Information card for entry 7135906

Structure parameters

• Formula: C17 H14 I N O2
• Calculated formula: C17 H14 I N O2
• Title of publication: The temperature-controllable photomechanical behavior of an α-isocyanostilbene derivative.
• Authors of publication: Seki, Tomohiro; Ishikawa, Rintaro; Yamamoto, Kaisei; Hibino, Ritsu; Moriya, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 38
• Pages of publication: 9685 - 9689
• a: 16.1022 ± 0.0004 Å
• b: 7.1059 ± 0.0002 Å
• c: 27.7748 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3178.01 ± 0.14 ų
• Cell temperature: 298.03 ± 0.18 K
• Ambient diffraction temperature: 298.03 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No