Information card for entry 7121103

Structure parameters

• Common name: Compound1
• Formula: C16 H30 N2 O2
• Calculated formula: C16 H30 N2 O2
• SMILES: C(=O)(NCCCCCC)/C=C/C(=O)NCCCCCC
• 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: 4.8725 ± 0.0017 Å
• b: 5.548 ± 0.003 Å
• c: 16.422 ± 0.006 Å
• α: 85.972 ± 0.012°
• β: 89.944 ± 0.008°
• γ: 64.398 ± 0.008°
• Cell volume: 399.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No