Information card for entry 4507192

Structure parameters

• Common name: 1H-Form-II
• Chemical name: 2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene
• Formula: C33 H36 O3
• Calculated formula: C33 H36 O3
• SMILES: O(Cc1c(c(COc2ccccc2)c(c(c1CC)COc1ccccc1)CC)CC)c1ccccc1
• Title of publication: Polymorphism through Desolvation of the Solvates of a van der Waals Host
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 606
• a: 13.9797 ± 0.0015 Å
• b: 14.1323 ± 0.0014 Å
• c: 17.0214 ± 0.0014 Å
• α: 89.651 ± 0.007°
• β: 71.309 ± 0.008°
• γ: 62.366 ± 0.01°
• Cell volume: 2781.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2064
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No