Information card for entry 8107325

Structure parameters

• Formula: C39 H45 N5 O3
• Calculated formula: C39 H45 N5 O3
• Title of publication: The crystal structure of (E)-3′,6′-bis(diethylamino)-2-((5-(diethylamino)-2-hydroxybenzylidene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C39H45N5O3
• Authors of publication: Zhou, Ji; Yuan, Shuhao; Yan, Shiyu; Tang, Qingyuan; Mao, Han; He, Qian; Cui, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1167 - 1170
• a: 11.8558 ± 0.0012 Å
• b: 12.1159 ± 0.0011 Å
• c: 24.014 ± 0.002 Å
• α: 90°
• β: 94.812 ± 0.002°
• γ: 90°
• Cell volume: 3437.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No