Information card for entry 8104826

Structure parameters

• Formula: C38 H45 N5 O5
• Calculated formula: C38 H45 N5 O5
• Title of publication: Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
• Authors of publication: Gao, Xiao-Li; Jia, Shu-Shu; Su, Rui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 343 - 345
• a: 11.3541 ± 0.0016 Å
• b: 12.1833 ± 0.0017 Å
• c: 14.409 ± 0.002 Å
• α: 68.24 ± 0.002°
• β: 76.613 ± 0.003°
• γ: 88.873 ± 0.003°
• Cell volume: 1796 ± 0.4 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: 0.123
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No