Information card for entry 4100044

Structure parameters

• Formula: C22 H17 B O4
• Calculated formula: C22 H17 B O4
• Title of publication: Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
• Authors of publication: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 12
• Pages of publication: 4354 - 4371
• a: 11.962 ± 0.0004 Å
• b: 7.228 ± 0.0001 Å
• c: 20.281 ± 0.0007 Å
• α: 90°
• β: 100.49 ± 0.001°
• γ: 90°
• Cell volume: 1724.21 ± 0.07 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No