Information card for entry 1504008

Structure parameters

• Chemical name: C-Hexyl-6,10:12,16:18,22:24,4-O,O'-tetrakis(quinoxaline- 2,3-diyl)calix[4]resorcinarene phenyl azide adduct
• Formula: C90 H85 N11 O8
• Calculated formula: C90 H85 N11 O8
• SMILES: N(=N#N)c1ccccc1.O1c2nc3c(nc2Oc2cc4Oc5nc6c(nc5Oc5c7cc8c(Oc9nc%10c(nc9Oc9cc%11Oc%12nc%13c(nc%12Oc%12cc1c(cc%12C(c%11cc9C8CCCCCC)CCCCCC)C(c2cc4C7CCCCCC)CCCCCC)cccc%13)cccc%10)c5)cccc6)cccc3
• Title of publication: Controllable selective functionalization of a cavitand via solid state photolysis of an encapsulated phenyl azide.
• Authors of publication: Wagner, Gerald; Arion, Vladimir B.; Brecker, Lothar; Krantz, Carsten; Mieusset, Jean-Luc; Brinker, Udo H.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3056 - 3058
• a: 13.5021 ± 0.0009 Å
• b: 15.7541 ± 0.0008 Å
• c: 18.9376 ± 0.0011 Å
• α: 70.524 ± 0.002°
• β: 88.842 ± 0.003°
• γ: 77.787 ± 0.003°
• Cell volume: 3706.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No