Information card for entry 1517418

Structure parameters

• Formula: C76 H144 Cl12 N20 O12
• Calculated formula: C76 H120 Cl12 N20 O12.6
• Title of publication: Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).
• Authors of publication: Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 4372
• a: 14.379 ± 0.004 Å
• b: 14.999 ± 0.006 Å
• c: 15.291 ± 0.007 Å
• α: 78.08 ± 0.03°
• β: 86.71 ± 0.03°
• γ: 61.81 ± 0.03°
• Cell volume: 2841 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2795
• Weighted residual factors for all reflections included in the refinement: 0.305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No