Information card for entry 8105901

Structure parameters

• Common name: (4<i>Z</i>)-2-[(<i>E</i>)-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene) methyl]-4-[(1,3,3-trimethyl-3<i>H</i>-indolium-2-yl)methylidene] -3-oxocyclobut-1-en-1-olate
• Chemical name: (4<i>Z</i>)-2-[(<i>E</i>)-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene) methyl]-4-[(1,3,3-trimethyl-3<i>H</i>-indolium-2-yl)methylidene] -3-oxocyclobut-1-en-1-olate
• Formula: C30 H32 N2 O2
• Calculated formula: C30 H32 N2 O2
• Title of publication: The crystal structure of (4Z)-2-[(E)-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-4-[(1-ethyl-3,3-dimethyl-3H-indolium-2-yl)methylidene]-3-oxocyclobut-1-en-1-olate, C30H32N2O2
• Authors of publication: Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Albukhari, Soha M.; Al-Soliemy, Amerah M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 949 - 951
• a: 9.8611 ± 0.0002 Å
• b: 15.8027 ± 0.0003 Å
• c: 16.2473 ± 0.0003 Å
• α: 90°
• β: 100.15 ± 0.002°
• γ: 90°
• Cell volume: 2492.23 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 3 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No