Information card for entry 8100945

Structure parameters

• Formula: C30 H30 N2 O4
• Calculated formula: C30 H30 N2 O4
• SMILES: c12cccc(COCc3ccccc3COCc3cccc(COCc4ccccc4COC2)n3)n1
• Title of publication: Crystal structure of 3,12,20,29-tetraoxa-35,36-diazapentacyclo[29.3.1.1 ^14,18^.0^5,10^.0^22,27^]hexatriaconta-1(35),6,8,14,16,18(36),22(27), 23,25,31,33-dodecane, C~30~H~30~N~2~O~4~
• Authors of publication: Caiazza, D.; Lincoln, S. F.; Tiekink, E. R. T.; Ward, A. D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 245 - 246
• a: 13.16 ± 0.01 Å
• b: 4.372 ± 0.007 Å
• c: 21.06 ± 0.006 Å
• α: 90°
• β: 92.8 ± 0.04°
• γ: 90°
• Cell volume: 1210 ± 2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No