Information card for entry 4027856

Structure parameters

• Formula: C33 H44 O10
• Calculated formula: C33 H44 O10
• SMILES: O=C(OC)C1=C([C@H]2[C@H]([C@H]3[C@@H]1[C@]1(OC(=O)C(=C)[C@@]21O)O[C@@H](C3)C1(OCCO1)CC/C=C/C)CCCCC/C=C/C)C(=O)OC.O=C(OC)C1=C([C@@H]2[C@@H]([C@@H]3[C@H]1[C@@]1(OC(=O)C(=C)[C@]21O)O[C@H](C3)C1(OCCO1)CC/C=C/C)CCCCC/C=C/C)C(=O)OC
• Title of publication: Toward the Synthesis of Phomoidride D
• Authors of publication: Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 477 - 489
• a: 7.7285 ± 0.0015 Å
• b: 15.223 ± 0.003 Å
• c: 27.208 ± 0.005 Å
• α: 95.5 ± 0.03°
• β: 94.23 ± 0.03°
• γ: 100.07 ± 0.03°
• Cell volume: 3123.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1648
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No