Information card for entry 2000828

Structure parameters

• Formula: C18 H34 O2
• Calculated formula: C18 H34 O2
• SMILES: CCCCCCCCCCC/C=C\CCCCC(=O)O
• Title of publication: Structure of the high-melting phase of petroselinic acid
• Authors of publication: Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1057 - 1060
• a: 5.359 ± 0.001 Å
• b: 8.874 ± 0.002 Å
• c: 41.391 ± 0.005 Å
• α: 90.49 ± 0.01°
• β: 89.12 ± 0.02°
• γ: 113.81 ± 0.02°
• Cell volume: 1800.6 ± 0.6 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No