Information card for entry 8100975

Structure parameters

• Formula: C40 H54 O10
• Calculated formula: C40 H54 O10
• SMILES: O1C(=C2C(=C(C(=C1)CCCCCCCCCC2)C(=O)OC)C(=O)OC)C1=C2C(=C(C(=CO1)CCCCCCCCCC2)C(=O)OC)C(=O)OC
• Title of publication: Crystal structure of (pM*,pM*)-(±)-bi-(dimethyl-3,6-decanooxepine- 4,5-dicarboxylate), [C~6~HO(CH~2~)~10~(COOCH~3~)~2~]~2~
• Authors of publication: Peters, Eva-Maria; Peters, Karl; Meints, Christine; Tochtermann, Werner
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 305 - 306
• a: 18.52 ± 0.003 Å
• b: 9.611 ± 0.002 Å
• c: 21.901 ± 0.004 Å
• α: 90°
• β: 104.43 ± 0.01°
• γ: 90°
• Cell volume: 3775.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No