Information card for entry 2104544

Structure parameters

• Chemical name: Beta-naphthaflavone 4'-propargyl ether
• Formula: C22 H14 O3
• Calculated formula: C22 H14 O3
• SMILES: c12oc(cc(=O)c1c1ccccc1cc2)c1ccc(cc1)OCC#C
• 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: 15.16 ± 0.002 Å
• b: 4.8871 ± 0.0005 Å
• c: 21.788 ± 0.003 Å
• α: 90°
• β: 98.02 ± 0.01°
• γ: 90°
• Cell volume: 1598.5 ± 0.3 ų
• Cell temperature: 298 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
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No