Information card for entry 7100321

Structure parameters

• Common name: Octyl
• Formula: C60 H88 O4
• Calculated formula: C60 H88 O4
• Title of publication: Organic crystals absorb hydrogen gas under mild conditions
• Authors of publication: Praveen Kumar Thallapally; Gareth O. Lloyd; Trevor B. Wirsig; Martin W. Bredenkamp; J.L.Atwood; Leonard J. Barbour
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.3633 ± 0.0017 Å
• b: 38.624 ± 0.006 Å
• c: 12.6614 ± 0.0019 Å
• α: 90°
• β: 101.881 ± 0.002°
• γ: 90°
• Cell volume: 5438 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• 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: Yes
• Has Fobs: No