Information card for entry 7100095

Structure parameters

• Common name: oxabridged spirocyclic six-membered-ring system
• Formula: C20 H22 O3
• Calculated formula: C20 H22 O3
• SMILES: [C@]123CCCC[C@@]1(C(=O)[C@@H]([C@@]1(C2)C(=O)c2ccccc2CC1)O3)C.[C@@]123CCCC[C@]1(C(=O)[C@H]([C@]1(C2)C(=O)c2ccccc2CC1)O3)C
• Title of publication: Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity
• Authors of publication: Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.644 ± 0.007 Å
• b: 9.115 ± 0.005 Å
• c: 14.429 ± 0.007 Å
• α: 90°
• β: 106.578 ± 0.01°
• γ: 90°
• Cell volume: 1593.7 ± 1.4 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