Information card for entry 4100409

Structure parameters

• Formula: C25 H29 Cl N2 O
• Calculated formula: C25 H29 Cl N2 O
• SMILES: [Cl-].O1N([C@@H]([C@@](C1)(C)C[NH2+][C@@H](C)c1ccccc1)c1ccccc1)c1ccccc1
• Authors of publication: Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.3849 ± 0.0008 Å
• b: 7.4838 ± 0.0005 Å
• c: 13.4086 ± 0.0009 Å
• α: 90°
• β: 105.204 ± 0.001°
• γ: 90°
• Cell volume: 1102.46 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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