Information card for entry 1544689

Structure parameters

• Common name: α-pallidopenillin A
• Formula: C15 H24 O4
• Calculated formula: C15 H24 O4
• SMILES: OCCC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H](O)[C@@H]2C=C[C@]1(O)C)C
• Title of publication: Pallidopenillines: Polyketides from the Alga-Derived Fungus Penicillium thomii Maire KMM 4675
• Authors of publication: Sobolevskaya, Maria P.; Leshchenko, Elena V.; Hoai, Trinh P. T.; Denisenko, Vladimir A.; Dyshlovoy, Sergey A.; Kirichuk, Natalya N.; Khudyakova, Yuliya V.; Kim, Natalya Yu.; Berdyshev, Dmitrii V.; Pislyagin, Evgeny A.; Kuzmich, Aleksandra S.; Gerasimenko, Andrey V.; Popov, Roman S.; von Amsberg, Gunhild; Antonov, Alexandr S.; Afiyatullov, Shamil Sh.
• Journal of publication: Journal of Natural Products
• Year of publication: 2016
• a: 9.2372 ± 0.0001 Å
• b: 10.9057 ± 0.0001 Å
• c: 14.6437 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475.18 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No