Information card for entry 4020975

Structure parameters

• Formula: C17 H24 O2
• Calculated formula: C17 H24 O2
• SMILES: c12c(cccc1C[C@@H]([C@@H]1C[C@H]([C@H]21)C(O)(C)C)CO)C.c12c(cccc1C[C@H]([C@H]1C[C@@H]([C@@H]21)C(O)(C)C)CO)C
• Title of publication: Radical and Palladium-Catalyzed Cyclizations to Cyclobutenes: An Entry to the BCD Ring System of Penitrem D
• Authors of publication: Alexey Rivkin; Felix González-López de Turiso; Tadamichi Nagashima; Dennis P. Curran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3719 - 3725
• a: 9.6474 ± 0.0006 Å
• b: 9.557 ± 0.0005 Å
• c: 15.8983 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1465.83 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No