Information card for entry 7234167

Structure parameters

• Chemical name: 9-N,10-N-bis(4-bromophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine
• Formula: C20 H22 Br2 N2 O4
• Calculated formula: C20 H22 Br2 N2 O4
• Title of publication: New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes
• Authors of publication: Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 51
• Pages of publication: 29949
• a: 10.664 ± 0.0006 Å
• b: 9.4362 ± 0.0006 Å
• c: 20.7558 ± 0.0011 Å
• α: 90°
• β: 97.997 ± 0.005°
• γ: 90°
• Cell volume: 2068.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1914
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No