Information card for entry 7155962

Structure parameters

• Formula: C27 H52 N6 O6
• Calculated formula: C27 H52 N6 O6
• Title of publication: A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems
• Authors of publication: Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2017
• a: 8.5829 ± 0.0013 Å
• b: 9.4082 ± 0.0014 Å
• c: 19.835 ± 0.003 Å
• α: 91.627 ± 0.004°
• β: 102.132 ± 0.004°
• γ: 101.559 ± 0.005°
• Cell volume: 1530 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No