Information card for entry 2000440

Structure parameters

• Formula: C12 H8 O4
• Calculated formula: C12 H8 O4
• SMILES: OC(=O)c1cc2ccccc2cc1C(=O)O
• Title of publication: Structure of 2,3-naphthalenedicarboxylic acid
• Authors of publication: Fitzgerald, L. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 1971 - 1975
• a: 5.087 ± 0.002 Å
• b: 19.222 ± 0.003 Å
• c: 9.552 ± 0.002 Å
• α: 90°
• β: 93.81 ± 0.03°
• γ: 90°
• Cell volume: 932 ± 0.4 ų
• 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: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No