Information card for entry 7101087

Structure parameters

• Formula: C13 H17 N3 O2
• Calculated formula: C13 H17 N3 O2
• SMILES: O=C(OC)/C(=C/c1[nH]c(N)c(c1CC)CC)C#N
• Title of publication: 2-Amino-3,4-diethylpyrrole: a new building block for coiled structures
• Authors of publication: Jonathan L. Sessler; Vince Lynch; G. Dan Pantos; M. Salome Rodriguez-Morgade; Tomas Torres
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 10.5504 ± 0.001 Å
• b: 9.0899 ± 0.0008 Å
• c: 13.5949 ± 0.0014 Å
• α: 90°
• β: 96.867 ± 0.004°
• γ: 90°
• Cell volume: 1294.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: No
• Has Fobs: No