Information card for entry 7217455

Structure parameters

• Formula: C15 H12 Cl2 N2
• Calculated formula: C15 H12 Cl2 N2
• 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: 6.0853 ± 0.0005 Å
• b: 13.6203 ± 0.0014 Å
• c: 16.017 ± 0.002 Å
• α: 90°
• β: 92.009 ± 0.009°
• γ: 90°
• Cell volume: 1326.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No