Information card for entry 7213278

Structure parameters

• Formula: C34 H44 O3
• Calculated formula: C34 H44 O3
• SMILES: Oc1c(C2(O)c3c(Oc4c2cc(cc4C(C)(C)C)C)c(C(C)(C)C)cc(C)c3)cc(cc1C(C)(C)C)C
• Title of publication: Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †
• Authors of publication: Dinger, Maarten B.; Scott, Michael J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1741
• a: 11.1823 ± 0.0006 Å
• b: 12.6574 ± 0.0007 Å
• c: 12.8089 ± 0.0007 Å
• α: 103.779 ± 0.001°
• β: 108.435 ± 0.001°
• γ: 111.672 ± 0.001°
• Cell volume: 1463.07 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No