Information card for entry 4020269

Structure parameters

• Common name: corannulene
• Formula: C20 H10
• Calculated formula: C20 H10
• SMILES: c1cc2c3c4c(cc2)ccc2c4c4c(cc2)ccc1c34
• Authors of publication: Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5713 - 5716
• a: 13.156 ± 0.0008 Å
• b: 11.6708 ± 0.0007 Å
• c: 16.293 ± 0.0009 Å
• α: 90°
• β: 102.174 ± 0.001°
• γ: 90°
• Cell volume: 2445.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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