Information card for entry 2104592

Structure parameters

• Chemical name: 2,4,13,15-Tetraoxa(5.5)metacyclophane
• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: C1OCc2cccc(c2)COCOCc2cc(CO1)ccc2
• 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: 10.376 ± 0.005 Å
• b: 8.884 ± 0.005 Å
• c: 4.378 ± 0.005 Å
• α: 83.046 ± 0.005°
• β: 84.413 ± 0.005°
• γ: 71.181 ± 0.005°
• Cell volume: 378.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No