Information card for entry 8100859

Structure parameters

• Formula: C19 H32 O3
• Calculated formula: C19 H32 O3
• SMILES: [C@H]12[C@@]([C@H]([C@H](C=C1)C2)CO)(CO)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: Crystal structure of (2R,3S)-2exo-[1R-(2S-isopropyl-5R-methylcyclohexyloxy)]- 2endo,3exo-dihydroxymethyl-bicyclo[2.2.1]hept-5-ene, (CH~2 ~OH)~ 2~C~7~H~7~OC~6~H~9~(CH~3~)(C~3~H~7~)
• Authors of publication: Peters, E.-M.; Peters, K.; Michieletto, I.; Fabris, F.; De Lucchi, O.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 117 - 118
• a: 7.511 ± 0.002 Å
• b: 9.557 ± 0.001 Å
• c: 24.411 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1752.3 ± 0.6 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No