Information card for entry 7051248

Structure parameters

• Common name: trans-9,10-Diethynyl-9,10-dihydroxy-9,10-dihydroanthracene
• Chemical name: trans-9,10-Diethynyl-9,10-dihydroxy-9,10-dihydroanthracene
• Formula: C18 H12 O2
• Calculated formula: C18 H12 O2
• Title of publication: Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family
• Authors of publication: Laxmi Madhavi, N. N.; Bilton, Clair; Howard, Judith A. K.; Allen, Frank H.; Nangia, Ashwini; Desiraju, Gautam R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 1
• a: 8.7684 ± 0.0018 Å
• b: 8.9558 ± 0.0018 Å
• c: 10.315 ± 0.002 Å
• α: 113.78 ± 0.03°
• β: 102.06 ± 0.03°
• γ: 102.59 ± 0.03°
• Cell volume: 682.3 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0973
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No