Information card for entry 2231507

Structure parameters

• Common name: 11-Hydroxy-9-(prop-2-en-1-yl)-9,10-dihydro-9,10-propanoanthracen-12-one
• Chemical name: 15-hydroxy-1-(prop-2-en-1-yl)tetracyclo[6.6.3.0^2,7^.0^9,14^]heptadeca- 2,4,6,9(14),10,12-hexaen-16-one
• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: O=C1CC2c3ccccc3C(c3ccccc23)(C1O)CC=C
• Title of publication: 11-Hydroxy-9-(prop-2-en-1-yl)-9,10-dihydro-9,10-propanoanthracen-12-one
• Authors of publication: Karama, Usama; Almansour, Abdulrahman I.; Arumugam, Natarajan; Razak, Ibrahim Abdul; Arshad, Suhana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2487
• a: 7.6094 ± 0.00001 Å
• b: 9.1609 ± 0.00001 Å
• c: 11.1735 ± 0.0002 Å
• α: 84.202 ± 0.001°
• β: 85.707 ± 0.001°
• γ: 69.895 ± 0.001°
• Cell volume: 727.017 ± 0.014 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes