Information card for entry 2230155

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl- 2<i>H</i>-benzo[<i>h</i>]chromene-2-yl]aniline
• Formula: C38 H37 N O3
• Calculated formula: C38 H37 N O3
• SMILES: O1C(C=Cc2c(c(c3ccc(cc3c12)OC)c1ccc(cc1)OC)C)(c1ccc(cc1)N(CC)CC)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl-2<i>H</i>-benzo[<i>h</i>]chromen-2-yl]aniline
• Authors of publication: Kim, Moon-Hwan; Park, Hee-Moon; Kim, Chong-Hyeak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1067 - o1068
• a: 11.0527 ± 0.0003 Å
• b: 11.687 ± 0.0003 Å
• c: 12.2752 ± 0.0003 Å
• α: 102.104 ± 0.002°
• β: 93.012 ± 0.002°
• γ: 95.929 ± 0.002°
• Cell volume: 1537.58 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2359
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes