Information card for entry 7209076

Structure parameters

• Formula: C50 H46 O4
• Calculated formula: C50 H46 O4
• SMILES: OC1(c2ccccc2c2ccccc12)c1ccccc1c1ccc(cc1)c1ccccc1C1(O)c2ccccc2c2ccccc12.OCCC.OCCC
• Title of publication: Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules
• Authors of publication: Klien, Henrik; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 586
• a: 27.8442 ± 0.0011 Å
• b: 9.5895 ± 0.0003 Å
• c: 14.243 ± 0.0006 Å
• α: 90°
• β: 90.527 ± 0.002°
• γ: 90°
• Cell volume: 3802.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No