Information card for entry 8100014

Structure parameters

• Formula: C18 H20 O2
• Calculated formula: C18 H20 O2
• SMILES: [C@@]12([C@@H]3C=Cc4ccccc4[C@@H]3C[C@@H](C(=O)O2)C1)C(C)C.[C@]12([C@H]3C=Cc4ccccc4[C@H]3C[C@H](C(=O)O2)C1)C(C)C
• Title of publication: Crystal structure of 1-isopropyl-15-oxatetracyclo-[11.2.1.02,11.05, 10]hexadeca-3,5(10),6,8-tetraen-14-one, C~18~H~20~O~2~
• Authors of publication: Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 51 - 52
• a: 21.37 ± 0.004 Å
• b: 5.6424 ± 0.0011 Å
• c: 23.686 ± 0.005 Å
• α: 90°
• β: 104.346 ± 0.005°
• γ: 90°
• Cell volume: 2767 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No