Information card for entry 4020319

Structure parameters

• Formula: C25 H39 Br O5
• Calculated formula: C25 H39 Br O5
• SMILES: Br[C@H]1C(C)(C)O[C@@](CC1)([C@@H]1CC[C@]2([C@H]([C@@H](C[C@H](COCc3ccccc3)O2)O)O1)C)C
• Authors of publication: Gisele A. Nishiguchi; Daniel Little
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5249 - 5256
• a: 6.4851 ± 0.0006 Å
• b: 9.8871 ± 0.0009 Å
• c: 10.5663 ± 0.001 Å
• α: 100.153 ± 0.001°
• β: 97.752 ± 0.001°
• γ: 106.194 ± 0.001°
• Cell volume: 628.17 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No