Information card for entry 4020726

Structure parameters

• Formula: C52 H52 N4 O2
• Calculated formula: C52 H52 N4 O2
• SMILES: N1=Cc2ccc(Oc3ccc(C=N[C@H]4[C@H](N=Cc5ccc(Oc6ccc(C=N[C@H]7[C@H]1CCCC7)cc6)cc5)CCCC4)cc3)cc2.c1ccccc1.c1ccccc1
• Title of publication: Rhombimines-Cyclic Tetraimines of trans-1,2-Diaminocyclohexane Shaped by the Diaryl Ether Structural Motif
• Authors of publication: Jacek Gawroński; Małgorzata Brzostowska; Marcin Kwit; Agnieszka Plutecka; Urszula Rychlewska
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10147 - 10150
• a: 8.817 ± 0.002 Å
• b: 14.894 ± 0.003 Å
• c: 32.741 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4299.6 ± 1.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No