Information card for entry 2016520

Structure parameters

• Chemical name: Dispiro[indene-2,5'-indeno[2,1-a]fluorene-6',2''-indene]- 1,1'',3,3'',11',12'-hexaone
• Formula: C36 H16 O6
• Calculated formula: C36 H16 O6
• SMILES: O=C1C2=C(c3c1cccc3)C1(C(=O)c3ccccc3C1=O)C1(C3=C2C(=O)c2ccccc32)C(=O)c2ccccc2C1=O
• Title of publication: Dispiro[indene-2,5'-indeno[2,1-<i>a</i>]fluorene-6',2''-indene]-1,1'',3,3'',11',12'-hexaone: a three-dimensional hydrogen-bonded framework
• Authors of publication: Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o162 - o165
• a: 8.2209 ± 0.0011 Å
• b: 16.552 ± 0.003 Å
• c: 18.423 ± 0.003 Å
• α: 90°
• β: 97.775 ± 0.019°
• γ: 90°
• Cell volume: 2483.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0645
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes