Information card for entry 1514171

Structure parameters

• Formula: C29.679 H32.144 O11.107
• Calculated formula: C29.6769 H32.1388 O11.1073
• SMILES: CC(=O)C[C@@]1(O)c2c(oc3c2cc(O)c(c3)O)c2c(C1=O)c1cc(O)c(cc1o2)O.CC(=O)C[C@]1(O)c2c(oc3c2cc(O)c(c3)O)c2c(C1=O)c1cc(O)c(cc1o2)O.CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C.CCCCCC
• Title of publication: Potential Anti-angiogenesis Effects of p-Terphenyl Compounds from Polyozellus multiplex.
• Authors of publication: Nagasawa, Ikuko; Kaneko, Akira; Suzuki, Toshihiro; Nishio, Kazuto; Kinoshita, Kaoru; Shiro, Motto; Koyama, Kiyotaka
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 963 - 968
• a: 10.8156 ± 0.0002 Å
• b: 19.5038 ± 0.0004 Å
• c: 13.2864 ± 0.0009 Å
• α: 90°
• β: 93.594 ± 0.007°
• γ: 90°
• Cell volume: 2797.2 ± 0.2 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No