Information card for entry 4100400

Structure parameters

• Formula: C14 H25 Cl O
• Calculated formula: C14 H25 Cl O
• SMILES: C(CCC[C@@H]1C[C@H]1[C@@H](C1CCCCC1)O)Cl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 19.3 ± 0.005 Å
• b: 4.7397 ± 0.001 Å
• c: 16.127 ± 0.004 Å
• α: 90°
• β: 102.838 ± 0.007°
• γ: 90°
• Cell volume: 1438.4 ± 0.6 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No