Information card for entry 2000827

Structure parameters

• Formula: C18 H34 O2
• Calculated formula: C18 H34 O2
• SMILES: CCCCCCCCCCC/C=C\CCCCC(=O)O
• Title of publication: Structure of the low-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: 1054 - 1057
• a: 7.311 ± 0.001 Å
• b: 5.565 ± 0.001 Å
• c: 88.01 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3580.7 ± 0.9 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No