Information card for entry 8104930

Structure parameters

• Formula: C35 H32 N6 O2
• Calculated formula: C35 H32 N6 O2
• SMILES: O=C1N(/N=C/c2nc3ccccc3nc2)C2(c3c1cccc3)c1cc(c(NCC)cc1Oc1cc(NCC)c(cc21)C)C
• Title of publication: Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C35H32N6O2
• Authors of publication: Liu, Shuang-Shuang; Wu, Wei-Na; Wang, Yuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 231 - 233
• a: 10.902 ± 0.002 Å
• b: 12.434 ± 0.002 Å
• c: 13.481 ± 0.004 Å
• α: 102.881 ± 0.005°
• β: 104.935 ± 0.005°
• γ: 114.542 ± 0.003°
• Cell volume: 1488.7 ± 0.6 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: 0.0906
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No