Information card for entry 7245030

Structure parameters

• Formula: C18 H20 N2 O3
• Calculated formula: C18 H20 N2 O3
• Title of publication: A γ-turn mimetic for selective sensing of Cu(ii) and a combinatorial multiple logic gate
• Authors of publication: Chowdhury, Srayoshi Roy; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 16.8282 ± 0.0006 Å
• b: 10.4619 ± 0.0004 Å
• c: 9.5748 ± 0.0004 Å
• α: 90°
• β: 100.788 ± 0.004°
• γ: 90°
• Cell volume: 1655.9 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No