Information card for entry 4108892

Structure parameters

• Formula: C25 H46 In N O11
• Calculated formula: C25 H28 In N O10
• Title of publication: Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials
• Authors of publication: Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17246 - 17247
• a: 12.8708 ± 0.0001 Å
• b: 12.8708 ± 0.0001 Å
• c: 17.2433 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2473.79 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No