Information card for entry 4100957

Structure parameters

• Formula: C20 H22 Cl N O2
• Calculated formula: C20 H22 Cl N O2
• SMILES: Cl[C@H]1[C@@](C(=O)[C@@H]2[C@@]3(c4ccccc4NC3=O)C([C@H]2C1)(C)C)(C)C=C
• Authors of publication: Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.4597 ± 0.0016 Å
• b: 11.4597 ± 0.0016 Å
• c: 12.611 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1434.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No