Information card for entry 4100045

Structure parameters

• Formula: C23 H19 B O5
• Calculated formula: C23 H19 B O5
• 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: 9.867 ± 0.0004 Å
• b: 14.292 ± 0.0006 Å
• c: 14.081 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1985.7 ± 0.1 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No