Information card for entry 7242925

Structure parameters

• Formula: C36 H58 Cl2 N4 O6 S10
• Calculated formula: C36 H57.9988 Cl2 N4 O6 S9.9998
• 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: 18.6 ± 0.002 Å
• b: 9.7722 ± 0.001 Å
• c: 28.091 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5105.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2347
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No