Information card for entry 2104510

Structure parameters

• Common name: oxabridged spirocyclic seven-membered-ring system
• Chemical name: 5'-phenyl-2'H-spiro[indene-2,6'-[8]oxabicyclo[3.2.1]octane]-1,2'(3H)-dione
• 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: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 20.618 ± 0.013 Å
• b: 49.704 Å
• c: 6.265 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6420 ± 6 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No