Information card for entry 7250696

Structure parameters

• Common name: Abed17R
• Formula: C14 H16 I N O
• Calculated formula: C14 H16 I N O
• Title of publication: An NMR insight into the solvatochromic behaviour of Brooker's merocyanine dyes
• Authors of publication: Afri, Michal; Gottlieb, Hugo E.; Fridman, Natalia; Saady, Abed
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 25436 - 25440
• a: 7.3941 ± 0.001 Å
• b: 10.5533 ± 0.0014 Å
• c: 17.659 ± 0.002 Å
• α: 90°
• β: 96.31 ± 0.012°
• γ: 90°
• Cell volume: 1369.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No