Information card for entry 4021205

Structure parameters

• Common name: 2-(3-pyridinyl) 2-adamantanol
• Formula: C15 H19 N O
• Calculated formula: C15 H19 N O
• SMILES: OC1(C2CC3CC1CC(C2)C3)c1cccnc1
• Title of publication: Conformational Studies by Dynamic NMR. 100. Enantiomerization Process of Stereolabile Atropisomers in Pyridine-Substituted Adamantane Derivatives
• Authors of publication: Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti; Romina Rompietti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5746 - 5748
• a: 6.5986 ± 0.0007 Å
• b: 6.5986 ± 0.0007 Å
• c: 53.743 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No