Information card for entry 4020678

Structure parameters

• Formula: C28 H32 O4
• Calculated formula: C28 H32 O4
• SMILES: c1(ccc(cc1)/C=C/C=C/C=C/c1ccc(cc1)C(=O)OCCCC)C(=O)OCCCC
• Title of publication: Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
• Authors of publication: Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9755 - 9763
• a: 13.742 ± 0.0017 Å
• b: 14.6337 ± 0.0019 Å
• c: 13.1471 ± 0.0018 Å
• α: 90°
• β: 115.786 ± 0.002°
• γ: 90°
• Cell volume: 2380.6 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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