Information card for entry 2007980

Structure parameters

• Chemical name: N,N'-Bis(1-naphthylmethyl)-1,7-dioxa-4,10-diazacyclododecano
• Formula: C30 H34 N2 O2
• Calculated formula: C30 H34 N2 O2
• SMILES: O1CCN(CCOCCN(CC1)Cc1cccc2c1cccc2)Cc1cccc2c1cccc2
• Title of publication: Two Macrocyclic Azacrown Ethers
• Authors of publication: Alessandra Forni
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1921 - 1923
• a: 9.7898 ± 0.0009 Å
• b: 7.3974 ± 0.0006 Å
• c: 17.292 ± 0.002 Å
• α: 90°
• β: 99.368 ± 0.006°
• γ: 90°
• Cell volume: 1235.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.0707
• Goodness-of-fit parameter for all reflections: 0.855
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No