Information card for entry 4100442

Structure parameters

• Formula: C30 H30 N2 O3
• Calculated formula: C30 H30 N2 O3
• SMILES: O=C(Nc1cccc2cccnc12)C1[C@@H](CCC[C@@H]1c1ccc(OC)cc1)c1ccc(OC)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 15.666 ± 0.0016 Å
• b: 14.2237 ± 0.0015 Å
• c: 11.4188 ± 0.0012 Å
• α: 90°
• β: 102.645 ± 0.002°
• γ: 90°
• Cell volume: 2482.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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