Information card for entry 8100577

Structure parameters

• Formula: C15 H12
• Calculated formula: C15 H12
• SMILES: CC#CC#Cc1ccc(cc1C)C#CC
• Title of publication: Crystal structure of 2-methyl-1-(1,3-pentadiynyl)-4-(1-propynyl)benzene, C~15~H~12~
• Authors of publication: Ostendorf, Detlev; Haase, Detlev; Saak, Wolfgang; Weidenbruch, Manfred
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 99 - 100
• a: 6.8624 ± 0.0005 Å
• b: 12.1578 ± 0.0015 Å
• c: 13.5279 ± 0.0009 Å
• α: 90°
• β: 90.53 ± 0.008°
• γ: 90°
• Cell volume: 1128.61 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 2
• 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