Information card for entry 7250695

Structure parameters

• Common name: Abed14R
• Formula: C7 H10 I N
• Calculated formula: C7 H10 I N
• 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: 13.7854 ± 0.0006 Å
• b: 19.6358 ± 0.0007 Å
• c: 10.1873 ± 0.0005 Å
• α: 90°
• β: 109.428 ± 0.005°
• γ: 90°
• Cell volume: 2600.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0451
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No