Information card for entry 2201796

Structure parameters

• Chemical name: 1,2-Bis[bis(4-methoxyphenyl)hydroxymethyl]benzene
• Formula: C36 H34 O6
• Calculated formula: C36 H34 O6
• SMILES: COc1ccc(cc1)C(c1ccccc1C(c1ccc(cc1)OC)(c1ccc(cc1)OC)O)(c1ccc(cc1)OC)O
• Title of publication: 1,2-Bis[bis(4-methoxyphenyl)hydroxymethyl]benzene
• Authors of publication: Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Maskill, Howard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o263 - o265
• a: 10.584 ± 0.003 Å
• b: 11.437 ± 0.003 Å
• c: 13.51 ± 0.003 Å
• α: 84.45 ± 0.02°
• β: 71.11 ± 0.02°
• γ: 72.96 ± 0.02°
• Cell volume: 1479.4 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0857
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes