Information card for entry 7153658

Structure parameters

• Formula: C41 H34 Co2 F2 N6 O12
• Calculated formula: C41 H34 Co2 F2 N6 O12
• Title of publication: A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
• Authors of publication: Olbrich, Martin; Mayer, Peter; Trauner, Dirk
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 108 - 112
• a: 10.2431 ± 0.0009 Å
• b: 14.0654 ± 0.0001 Å
• c: 14.0892 ± 0.0002 Å
• α: 93.793 ± 0.005°
• β: 90.314 ± 0.008°
• γ: 93.311 ± 0.008°
• Cell volume: 2021.96 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1328
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No