Information card for entry 7100096

Structure parameters

• Common name: oxabridged spirocyclic seven-membered-ring system
• Formula: C21 H18 O3
• Calculated formula: C21 H18 O3
• SMILES: [C@]12(CCC(=O)[C@@H](C[C@]31C(=O)c1ccccc1C3)O2)c1ccccc1.[C@@]12(CCC(=O)[C@H](C[C@@]31C(=O)c1ccccc1C3)O2)c1ccccc1
• 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: 6.265 ± 0.004 Å
• b: 20.618 ± 0.013 Å
• c: 25.042 ± 0.016 Å
• α: 90°
• β: 97.062 ± 0.011°
• γ: 90°
• Cell volume: 3210 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No