Information card for entry 4020189

Structure parameters

• Formula: C26 H17 N O3
• Calculated formula: C26 H17 N O3
• SMILES: N1(C(=O)/C(=C(C(=O)c2ccccc2)\C#Cc2ccccc2)c2c1cccc2)C(=O)C
• Authors of publication: Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3850 - 3858
• a: 8.5729 ± 0.0004 Å
• b: 9.3557 ± 0.0004 Å
• c: 13.7085 ± 0.0006 Å
• α: 107.284 ± 0.001°
• β: 99.774 ± 0.001°
• γ: 102.644 ± 0.001°
• Cell volume: 991.32 ± 0.08 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No