Information card for entry 7155961

Structure parameters

• Formula: C30 H52 N6 O3
• Calculated formula: C30 H52 N6 O3
• 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: 6.8629 ± 0.0008 Å
• b: 13.3106 ± 0.0007 Å
• c: 17.3781 ± 0.0011 Å
• α: 107.076 ± 0.005°
• β: 91.166 ± 0.007°
• γ: 91.431 ± 0.007°
• Cell volume: 1516.4 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1738
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No