Information card for entry 1570585

Structure parameters

• Formula: C26 H21 Cl N2 O3
• Calculated formula: C26 H21 Cl N2 O3
• Title of publication: Chemometric sensing of stereoisomeric compound mixtures with a redox-responsive optical probe.
• Authors of publication: Formen, Jeffrey S. S. K.; Hassan, Diandra S.; Wolf, Christian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1498 - 1504
• a: 5.8943 ± 0.0005 Å
• b: 13.4561 ± 0.0011 Å
• c: 27.524 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2183 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No