Information card for entry 7106719

Structure parameters

• Formula: C156 H252 N12 O20
• Calculated formula: C156 H252 N12 O20
• Title of publication: An all-organic steroid-D-p-A modular design drives ferroelectricity in supramolecular solids and nano-architectures at RT
• Authors of publication: Deepak Asthana; Anil Kumar; Abhishek Pathak; Pradip Kumar Sukul; Sudip Malik; Ratnamala Chatterjee; Satyabrata Patnaik; Kari Rissanen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8928
• a: 12.9772 ± 0.0003 Å
• b: 14.3714 ± 0.0002 Å
• c: 22.68 ± 0.0006 Å
• α: 73.075 ± 0.001°
• β: 79.981 ± 0.001°
• γ: 69.56 ± 0.001°
• Cell volume: 3779.49 ± 0.15 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No