Information card for entry 8100164

Structure parameters

• Formula: C23 H26 O5
• Calculated formula: C23 H26 O5
• SMILES: C12=C([C@@]3(C(=O)CC[C@H]1[C@H]3[C@H]1COC(O1)(C)C)C(=O)OCC)Cc1ccccc21
• Title of publication: Crystal structure of ethyl (1S,7R,11R,4'S)-benzo[4,5]-11-(2',2'-dimethyl- 1',3'-dioxolan-4'-yl)-10-oxotricyclo[5.3.1.0^2,6^]undec-2(6)-ene-1- carboxylate, C~23~H~26~O~5~
• Authors of publication: Peters, K.; Peters, E.-M.; Zahn, G.; Gutke, H.-J.; Spitzner, D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 365 - 367
• a: 10.592 ± 0.002 Å
• b: 18.188 ± 0.003 Å
• c: 10.777 ± 0.002 Å
• α: 90°
• β: 98.39 ± 0.01°
• γ: 90°
• Cell volume: 2053.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No