Information card for entry 7115500

Structure parameters

• Formula: C30 H22 O
• Calculated formula: C30 H22 O
• SMILES: O(C1(c2ccccc2)c2c(c(c3ccccc3)cc3c2cccc3)c2c1cccc2)C
• Title of publication: A facile access to substituted benzo[a]fluorenes from o-alkynylbenzaldehydes via in situ formed acetals
• Authors of publication: Seetharaman Manojveer; Rengarajan Balamurugan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9925
• a: 10.7885 ± 0.0009 Å
• b: 8.7362 ± 0.0008 Å
• c: 22.4105 ± 0.0016 Å
• α: 90°
• β: 91.123 ± 0.007°
• γ: 90°
• Cell volume: 2111.8 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No