Information card for entry 7159863

Structure parameters

• Formula: C74.18 H106.96 Cl3 N4 O13.4
• Calculated formula: C74.32 H107.3 Cl3 N4 O13.415
• Title of publication: Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.
• Authors of publication: Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 16
• Pages of publication: 3314 - 3327
• a: 8.0067 ± 0.0018 Å
• b: 10.661 ± 0.002 Å
• c: 23.119 ± 0.005 Å
• α: 79.169 ± 0.006°
• β: 85.466 ± 0.006°
• γ: 85.116 ± 0.006°
• Cell volume: 1927.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2278
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No