Information card for entry 4021338

Structure parameters

• Common name: 11
• Formula: C27 H27 N3 O2
• Calculated formula: C27 H27 N3 O2
• SMILES: O1C(C(=CC1C(O)(c1ccccc1)c1ccccc1)n1nnc2c1cccc2)(CC)CC
• Title of publication: β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles
• Authors of publication: Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6018 - 6023
• a: 14.113 ± 0.004 Å
• b: 9.571 ± 0.003 Å
• c: 17.403 ± 0.005 Å
• α: 90°
• β: 106.192 ± 0.006°
• γ: 90°
• Cell volume: 2257.4 ± 1.2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• 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