Information card for entry 2000477

Structure parameters

• Formula: C16 H24 O
• Calculated formula: C16 H24 O
• SMILES: C1CC[C@@H]2CC[C@@H]3CCC[C@@H]4CC[C@H]1C12C34O1
• Title of publication: Structure of an epoxytetradecahydropyrene
• Authors of publication: Nieger, M.; Egert, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2044 - 2045
• a: 15.96 ± 0.01 Å
• b: 5.339 ± 0.005 Å
• c: 16.97 ± 0.02 Å
• α: 90°
• β: 117.43 ± 0.06°
• γ: 90°
• Cell volume: 1283 ± 2 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No