Information card for entry 7126136

Structure parameters

• Formula: C32 H35 N7 O
• Calculated formula: C32 H35 N7 O
• SMILES: N(C1(c2n(nnn2)[C@H](C(=O)NCCc2ccccc2)Cc2c3ccccc3[nH]c2)CCCC1)Cc1ccccc1
• Title of publication: 'Atypical Ugi' tetrazoles.
• Authors of publication: Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1799 - 1802
• a: 6.7885 ± 0.0004 Å
• b: 7.9643 ± 0.0004 Å
• c: 26.039 ± 0.002 Å
• α: 90°
• β: 94.113 ± 0.006°
• γ: 90°
• Cell volume: 1404.19 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No