Information card for entry 7100325

Structure parameters

• Formula: C10 H14 O2
• Calculated formula: C10 H14 O2
• SMILES: O1[C@H]2[C@@H](O)CC=CCC[C@@H]1C=C2
• Title of publication: Synthesis of a simplified analogue of eleutherobin via a Claisen rearrangement and ring closing metathesis strategy
• Authors of publication: Andrew B. Holmes; Andrew Ayscough; Andrew Bond; Gary C. H. Chiang; Sylvie Duckie; Gilles Pain
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 8.2007 ± 0.0004 Å
• b: 8.2007 ± 0.0004 Å
• c: 26.5896 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1788.19 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No