Information card for entry 7062396

Structure parameters

• Formula: C42 H28 N4 O2
• Calculated formula: C42 H28 N4 O2
• Title of publication: Binaphthalene-based cyclic homochiral ureas and their structure-related properties
• Authors of publication: Holakovský, Roman; Just, David; Eigner, Václav; Jakubec, Martin; Cuřínová, Petra
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 8515 - 8523
• a: 9.8861 ± 0.0006 Å
• b: 15.6415 ± 0.001 Å
• c: 10.3461 ± 0.0007 Å
• α: 90°
• β: 105.983 ± 0.0019°
• γ: 90°
• Cell volume: 1538.01 ± 0.17 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No