Information card for entry 7238096

Structure parameters

• Common name: (4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol
• Chemical name: (4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol
• Formula: C14 H20 O4
• Calculated formula: C14 H20 O4
• Title of publication: Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol
• Authors of publication: Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 65
• Pages of publication: 398
• a: 9.2811 ± 0.0019 Å
• b: 9.926 ± 0.002 Å
• c: 13.927 ± 0.003 Å
• α: 92.912 ± 0.003°
• β: 101.065 ± 0.003°
• γ: 91.848 ± 0.004°
• Cell volume: 1256.4 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0714
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No