Information card for entry 4507191

Structure parameters

• Common name: 1H-Form-I
• Chemical name: 2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene
• Formula: C33 H36 O3
• Calculated formula: C33 H36 O3
• SMILES: O(c1ccccc1)Cc1c(c(c(c(c1CC)COc1ccccc1)CC)COc1ccccc1)CC
• 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: 15.5683 ± 0.0009 Å
• b: 10.6851 ± 0.0006 Å
• c: 17.5607 ± 0.0011 Å
• α: 90°
• β: 108.342 ± 0.007°
• γ: 90°
• Cell volume: 2772.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No