Information card for entry 2101130

Structure parameters

• Formula: C8 H14 N2 O2
• Calculated formula: C8 H2 N2 O2
• SMILES: O=C1CCCNC(CCCN1)=O
• Title of publication: Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix
• Authors of publication: Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 243 - 251
• a: 4.874 ± 0.002 Å
• b: 11.714 ± 0.004 Å
• c: 8.088 ± 0.002 Å
• α: 90°
• β: 107.3 ± 0.3°
• γ: 90°
• Cell volume: 440.9 ± 0.8 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No