Information card for entry 7058180

Structure parameters

• Formula: C8 H11.27 N0.73 O2.18
• Calculated formula: C8 H11.2727 N0.727273 O2.18182
• Title of publication: Intertwined gababutin-based supramolecular double helix
• Authors of publication: Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4830
• a: 10.2051 ± 0.0002 Å
• b: 12.0183 ± 0.0003 Å
• c: 19.9352 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2445.01 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No