Information card for entry 8100193

Structure parameters

• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• SMILES: c1(=O)c(c(C)oc2cc3c(C=CC(C)(C)O3)c(c12)O)C
• Title of publication: Crystal structure of 5-hydroxy-2,3,8,8-tetramethyl-4H,8H-benzo[1,2- β:5,4-β']dipyran-4-one, C~16~H~16~O~4~
• Authors of publication: Golen, James A.; Williard, Paul G.; Ram, Siya; Sachdeva, Yesh P.; Wilson, Donna Kay; Zhar, Salah; Verma, Ravi K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 405 - 406
• a: 9.149 ± 0.002 Å
• b: 13.029 ± 0.003 Å
• c: 11.608 ± 0.002 Å
• α: 90°
• β: 99.9 ± 0.03°
• γ: 90°
• Cell volume: 1363.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: No
• Has Fobs: No