Information card for entry 1516799

Structure parameters

• Formula: C32 H25 Br3 O6
• Calculated formula: C32 H25 Br3 O6
• SMILES: Brc1ccc(C(=O)OCC[C@H](OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c2ccc(Br)cc2)Cc2ccccc2)cc1
• Title of publication: Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii.
• Authors of publication: Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 7
• Pages of publication: 1729 - 1733
• a: 14.899 ± 0.003 Å
• b: 5.697 ± 0.0011 Å
• c: 17.092 ± 0.005 Å
• α: 90°
• β: 93.694 ± 0.007°
• γ: 90°
• Cell volume: 1447.7 ± 0.6 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: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No