Information card for entry 4100484

Structure parameters

• Formula: C12 H21 N O
• Calculated formula: C12 H21 N O
• SMILES: O[C@@]1(C[C@@H](N2[C@@H]1CCC2)CC(=C)C)C
• Authors of publication: Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.3945 ± 0.0016 Å
• b: 10.532 ± 0.003 Å
• c: 8.707 ± 0.002 Å
• α: 90°
• β: 102.679 ± 0.005°
• γ: 90°
• Cell volume: 572.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No