Information card for entry 2100197

Structure parameters

• Common name: gamma butyrolactone
• Formula: C4 H6 O2
• Calculated formula: C4 H6 O2
• SMILES: O=C1CCCO1
• Title of publication: X-Ray powder diffraction structure determination of γ-butyrolactone at 180 K. Phase problem solution from the lattice energy minimization with two independent molecules.
• Authors of publication: Papoular, Robert J; Allouchi, Hassan; Chagnes, Alexandre; Dzyabchenko, Alexander V; Carre, Bernard; Lemordant, Daniel; Agafonov, Viatcheslav
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2005
• Journal volume: 61
• a: 10.1282 ± 0.0004 Å
• b: 10.2303 ± 0.0005 Å
• c: 8.31325 ± 0.00035 Å
• α: 90°
• β: 93.2908 ± 0.0017°
• γ: 90°
• Cell volume: 859.95 ± 0.07 ų
• Cell temperature: 180 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No