Information card for entry 7121105

Structure parameters

• Formula: C16 H26 N2 O2
• Calculated formula: C16 H26 N2 O2
• SMILES: O=C(NC1CCCCC1)/C=C\C(=O)NC1CCCCC1
• Title of publication: Self-assembly of small-molecule fumaramides allows transmembrane chloride channel formation.
• Authors of publication: Roy, Arundhati; Gautam, Amitosh; Malla, Javid Ahmad; Sarkar, Sohini; Mukherjee, Arnab; Talukdar, Pinaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 2024 - 2027
• a: 9.9736 ± 0.0015 Å
• b: 23.058 ± 0.003 Å
• c: 14.051 ± 0.002 Å
• α: 90°
• β: 90.562 ± 0.003°
• γ: 90°
• Cell volume: 3231.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No