Information card for entry 4020743

Structure parameters

• Formula: C11 H22 N4 O3
• Calculated formula: C11 H13 N4 O3
• 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: 11.6506 ± 0.0015 Å
• b: 15.143 ± 0.0019 Å
• c: 8.9226 ± 0.0011 Å
• α: 90°
• β: 108.742 ± 0.003°
• γ: 90°
• Cell volume: 1490.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No