Information card for entry 4020623

Structure parameters

• Common name: Naphth[1,2-a]azulene
• Formula: C22 H16 O
• Calculated formula: C22 H16 O
• SMILES: c12c3cccccc3c(/C=C/C(=O)C)c2ccc2c1cccc2
• Title of publication: Novel Synthesis of Benzalacetone Analogues of Naphth[a]azulenes by Intramolecular Tropylium Ion-Mediated Furan Ring-Opening Reaction and X-ray Investigation of a Naphth[1,2-a]azulene Derivative
• Authors of publication: Kimiaki Yamamura; Shizuka Kawabata; Takatomo Kimura; Kazuo Eda; Masao Hashimoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8902 - 8906
• a: 22.229 ± 0.009 Å
• b: 5.344 ± 0.002 Å
• c: 27.376 ± 0.011 Å
• α: 90°
• β: 111.999 ± 0.007°
• γ: 90°
• Cell volume: 3015 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No