Information card for entry 4503952

Structure parameters

• Chemical name: (E)-(3,3'-(diazene-1,2-diyl)bis(3,1-phenylene))bis(diphenylmethanol) dioxane solvate
• Formula: C21 H19 N O2
• Calculated formula: C21 H19 N O2
• Title of publication: Guest Signaling Compound: trans-3,3‘-Bis(diphenylhydroxymethyl)azobenzene
• Authors of publication: Scott, Janet L.; Almesaker, Ann; Sumi, Yoshinori; Tanaka, Koichi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1049
• a: 8.954 ± 0.0004 Å
• b: 9.0428 ± 0.0004 Å
• c: 10.9379 ± 0.0006 Å
• α: 102.171 ± 0.002°
• β: 98.851 ± 0.002°
• γ: 105.778 ± 0.002°
• Cell volume: 811.84 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No