Information card for entry 4020746

Structure parameters

• Formula: C42 H72 N8 O6 S2
• Calculated formula: C42 H72 N8 O6 S2
• Title of publication: Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force
• Authors of publication: Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10067 - 10072
• a: 10.2504 ± 0.0006 Å
• b: 13.3758 ± 0.0008 Å
• c: 17.822 ± 0.001 Å
• α: 90.941 ± 0.001°
• β: 94.799 ± 0.001°
• γ: 99.773 ± 0.001°
• Cell volume: 2398.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No