Information card for entry 7051235

Structure parameters

• Formula: C22 H28 Cl N3 O10
• Calculated formula: C22 H28 Cl N3 O10
• SMILES: Cl(=O)(=O)(=O)[O-].C1COCCOc2ccccc2OCCOCCOc2ccccc2O1.c1n[nH]c[nH+]1
• Title of publication: Complexation of planar, organic, five-membered cations with crown ethers
• Authors of publication: Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 47 - 52
• a: 17.7939 ± 0.0009 Å
• b: 14.3421 ± 0.0009 Å
• c: 11.9338 ± 0.0005 Å
• α: 90°
• β: 129.008 ± 0.002°
• γ: 90°
• Cell volume: 2366.6 ± 0.2 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No