Information card for entry 1518481

Structure parameters

• Formula: C12 H15 Cl O6
• Calculated formula: C12 H13 Cl O6
• Title of publication: Erinaceolactones A to C, from the Culture Broth of Hericium erinaceus.
• Authors of publication: Wu, Jing; Tokunaga, Taiki; Kondo, Mitsuru; Ishigami, Kota; Tokuyama, Shinji; Suzuki, Tomohiro; Choi, Jae-Hoon; Hirai, Hirofumi; Kawagishi, Hirokazu
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 1
• Pages of publication: 155 - 158
• a: 4.6451 ± 0.0003 Å
• b: 11.3065 ± 0.0008 Å
• c: 12.3885 ± 0.0007 Å
• α: 90°
• β: 94.458 ± 0.002°
• γ: 90°
• Cell volume: 648.67 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No