Information card for entry 8104975

Structure parameters

• Formula: C54 H48 N4 O2
• Calculated formula: C54 H48 N4 O2
• Title of publication: Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(pyren-1-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C54H48N4O2
• Authors of publication: Wu, Jinping; Li, Kaihao; Lan, Hairong; Chu, Yixin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 113 - 116
• a: 11.1883 ± 0.0005 Å
• b: 13.5364 ± 0.0005 Å
• c: 14.3412 ± 0.0005 Å
• α: 105.885 ± 0.003°
• β: 97.71 ± 0.003°
• γ: 94.126 ± 0.003°
• Cell volume: 2056.64 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1114
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No