Information card for entry 2104542

Structure parameters

• Chemical name: 1,4-bis(1'-carboxy-2'-methylprop-2'-yl)benzene
• Formula: C16 H22 O4
• Calculated formula: C16 H22 O4
• SMILES: OC(=O)CC(c1ccc(cc1)C(CC(=O)O)(C)C)(C)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: 21.8163 ± 0.0002 Å
• b: 8.9653 ± 0.0001 Å
• c: 23.2716 ± 0.0002 Å
• α: 90°
• β: 104.718 ± 0.001°
• γ: 90°
• Cell volume: 4402.33 ± 0.08 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No