Information card for entry 7217450

Structure parameters

• Formula: C35 H36 Cl2 N4 O
• Calculated formula: C35 H36 Cl2 N4 O
• Title of publication: Tröger's base quasiracemates and crystal packing tendencies
• Authors of publication: Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 7251
• a: 24.1816 ± 0.0006 Å
• b: 10.4269 ± 0.0003 Å
• c: 11.7456 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2961.53 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No