Information card for entry 2003623

Structure parameters

• Formula: C23 H20 O2
• Calculated formula: C23 H20 O2
• SMILES: C(C(C)O)(O)(c1cccc2ccccc12)c1cccc2ccccc12
• Title of publication: A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
• Authors of publication: Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1447 - 1452
• a: 25.5347 ± 0.0033 Å
• b: 17.3004 ± 0.0014 Å
• c: 7.6486 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3378.8 ± 0.5 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No