Information card for entry 4100051

Structure parameters

• Formula: C14 H7 Br3
• Calculated formula: C14 H7 Br3
• 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: 10.153 ± 0.0005 Å
• b: 7.248 ± 0.0002 Å
• c: 17.358 ± 0.0009 Å
• α: 90°
• β: 106.064 ± 0.002°
• γ: 90°
• Cell volume: 1227.48 ± 0.09 ų
• 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