Information card for entry 2004069

Structure parameters

• Formula: C21 H22 O4
• Calculated formula: C21 H22 O4
• SMILES: O=c1ccc2c(o1)cc1c(c2OCC2=C(C)CC(CC2)(C)C)cco1
• Title of publication: Archangelin
• Authors of publication: Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2196 - 2198
• a: 6.732 ± 0.002 Å
• b: 24.375 ± 0.004 Å
• c: 12.027 ± 0.003 Å
• α: 90°
• β: 115.1 ± 0.02°
• γ: 90°
• Cell volume: 1787.2 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.154
• Goodness-of-fit parameter for significantly intense reflections: 0.679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No