Information card for entry 7238097

Structure parameters

• Common name: (4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol
• Chemical name: (4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol
• Formula: C14 H24 O4
• Calculated formula: C14 H24 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: 5.958 ± 0.005 Å
• b: 5.994 ± 0.005 Å
• c: 9.867 ± 0.008 Å
• α: 86.177 ± 0.013°
• β: 82.547 ± 0.013°
• γ: 73.2 ± 0.012°
• Cell volume: 334.3 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No