Information card for entry 4510912

Structure parameters

• Common name: Orcinol:Acridine
• Formula: C33 H26 N2 O2
• Calculated formula: C33 H26 N2 O2
• SMILES: n1c2ccccc2cc2ccccc12.n1c2ccccc2cc2ccccc12.Oc1cc(O)cc(c1)C
• Title of publication: Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography
• Authors of publication: Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2637
• a: 7.837 ± 0.002 Å
• b: 9.702 ± 0.003 Å
• c: 17.83 ± 0.005 Å
• α: 98.229 ± 0.007°
• β: 100.908 ± 0.007°
• γ: 103.819 ± 0.007°
• Cell volume: 1267.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.3193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No