Information card for entry 7209075

Structure parameters

• Formula: C52 H52 N2 O2
• Calculated formula: C52 H52 N2 O2
• SMILES: c12ccccc1c1ccccc1C2(O)c1ccccc1c1ccc(c2c(C3(c4ccccc4c4ccccc34)O)cccc2)cc1.CCNCC.CCNCC
• 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: 14.2198 ± 0.0006 Å
• b: 16.0642 ± 0.0008 Å
• c: 9.3447 ± 0.0004 Å
• α: 90°
• β: 105.109 ± 0.002°
• γ: 90°
• Cell volume: 2060.82 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No