Information card for entry 4020812

Structure parameters

• Formula: C27 H28 O2
• Calculated formula: C27 H28 O2
• SMILES: O(c1ccc(C2(C3(CCC2CC3)c2ccccc2)c2ccc(OC)cc2)cc1)C
• Title of publication: Conformational Studies by Dynamic NMR. 97. Structure, Conformation, Stereodynamics and Enantioseparation of Aryl Substituted Norbornanes
• Authors of publication: Daniele Casarini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 345 - 351
• a: 12.8067 ± 0.0008 Å
• b: 7.4743 ± 0.0005 Å
• c: 22.3194 ± 0.0014 Å
• α: 90°
• β: 102.372 ± 0.001°
• γ: 90°
• Cell volume: 2086.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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