Information card for entry 8100535

Structure parameters

• Formula: C25 H20 O2
• Calculated formula: C25 H20 O2
• SMILES: c1cc(ccc1C(=C/C#Cc1ccccc1)/OC(=O)c1ccc(cc1)C)C
• Title of publication: Crystal structure of (4-phenyl-1-p-tolylbut-1-en-3-ynyl)-4-methylbenzoate, C~25~H~20~O~2~
• Authors of publication: Rossollin, Valérie; Lokshin, Vladimir; Samat, André; Pèpe, Gérard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 57 - 58
• a: 10.709 ± 0.001 Å
• b: 10.663 ± 0.001 Å
• c: 17.478 ± 0.002 Å
• α: 90°
• β: 90.37 ± 0.01°
• γ: 90°
• Cell volume: 1995.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No