Information card for entry 4516317

Structure parameters

• Formula: C44 H42 Cl2 Cu2 N12 O15
• Calculated formula: C44 H42 Cl2 Cu2 N12 O15
• Title of publication: Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization
• Authors of publication: Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4318
• a: 13.2562 ± 0.0006 Å
• b: 14.6172 ± 0.0006 Å
• c: 15.7489 ± 0.0006 Å
• α: 95.369 ± 0.002°
• β: 111.117 ± 0.002°
• γ: 114.983 ± 0.002°
• Cell volume: 2468.99 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1667
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No