Information card for entry 7242923

Structure parameters

• Formula: C32 H46 F2 N4 O4 S8
• Calculated formula: C32 H45.9988 F2 N4 O4 S8
• Title of publication: Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups
• Authors of publication: Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 31
• Pages of publication: 18768 - 18775
• a: 8.1311 ± 0.0004 Å
• b: 11.9456 ± 0.0007 Å
• c: 12.1 ± 0.0012 Å
• α: 103.82 ± 0.007°
• β: 109.146 ± 0.006°
• γ: 93.699 ± 0.004°
• Cell volume: 1064.98 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No