Information card for entry 4519119

Structure parameters

• Formula: C27 H31 N5 O4
• Calculated formula: C27 H31 N5 O4
• Title of publication: Strategy to Design a Flexible and Macromolecular Sensor to Bind Cd²⁺ Ions: A Complete Photophysical Analysis and Bio-Imaging Study.
• Authors of publication: Mondal, Surajit; Dey, Swapan
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 42
• Pages of publication: 27936 - 27945
• a: 19.517 ± 0.004 Å
• b: 14.714 ± 0.008 Å
• c: 9.4101 ± 0.0019 Å
• α: 90°
• β: 103.29 ± 0.02°
• γ: 90°
• Cell volume: 2630 ± 1.6 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 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: 0.1829
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No