Information card for entry 2104597

Structure parameters

• Chemical name: 5,6-bis(Ethoxycarbonyl)-3,8-diphenyl-1,2,3,4,5a,7,8,8b-octaaza-acenaphthalene
• Formula: C22 H20 N8 O4
• Calculated formula: C22 H20 N8 O4
• SMILES: CCOC(=O)c1nn(c2ccccc2)c2n3n1c(nn(c3nn2)c1ccccc1)C(=O)OCC
• 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: 19.7692 ± 0.0006 Å
• b: 10.0002 ± 0.0003 Å
• c: 13.6106 ± 0.0004 Å
• α: 90°
• β: 126.373 ± 0.03°
• γ: 90°
• Cell volume: 2166.5 ± 0.8 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No