Information card for entry 4023370

Structure parameters

• Common name: Spiroanthracene
• Formula: C35 H28 O2
• Calculated formula: C35 H28 O2
• SMILES: O1C2(c3ccccc3C(Cc3c4ccccc4cc4ccccc34)c3ccccc23)CC(=C1C)C(=O)C
• Title of publication: An Unexpected Metal-Promoted Transformation Yields An Anthrylmethyl Spiroanthracene
• Authors of publication: Anupa A. Kumbhar; Avinash S. Kumbhar; Vedavati G. Puranik
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3559 - 3561
• a: 15.713 ± 0.0007 Å
• b: 10.6636 ± 0.0005 Å
• c: 14.8389 ± 0.0007 Å
• α: 90°
• β: 92.929 ± 0.001°
• γ: 90°
• Cell volume: 2483.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No