Information card for entry 7100207

Structure parameters

• Common name: Pentyl
• Formula: C48 H64 O4
• Calculated formula: C47.988 H64 O4
• Title of publication: Crystal engineering of nonporous organic solids for methane sorption
• Authors of publication: J. L. Atwood; Leonard J. Barbour; Praveen Kumar Thallapally; Trevor B. Wirsig
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.717 ± 0.003 Å
• b: 12.717 ± 0.003 Å
• c: 13.457 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No