Information card for entry 8101081

Structure parameters

• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: OC(=O)Cc1oc2ccc3ccccc3c2c1C
• Title of publication: Crystal structure of 2-(1-methylnaphtho[2,1-b]furan-2-yl)acetic acid, C~15~H~12~O~3~
• Authors of publication: Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 543 - 544
• a: 8.768 ± 0.004 Å
• b: 8.984 ± 0.003 Å
• c: 8.035 ± 0.003 Å
• α: 99.62 ± 0.03°
• β: 100.7 ± 0.03°
• γ: 107.23 ± 0.03°
• Cell volume: 577.2 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No