Crystallography Open Database

Information card for 7223465

7223464 << 7223465 >> 7223466


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Structure parameters

Formula - C31 H17 Br N2 O3 -
Calculated formula - C31 H17 Br N2 O3 -
Title of publication Synthesis of a new class of pyrazole embedded spirocyclic scaffolds using magnetically separable Fe3O4@SiO2‒SO3H nanoparticles as recyclable solid acid support
Authors of publication Pramanik, Animesh; Kundu, Ashis; Mukherjee, Sayan
Journal of publication RSC Adv.
Year of publication 2015
a 7.643 ± 0.003 Å
b 20.832 ± 0.007 Å
c 15.36 ± 0.005 Å
α 90°
β 99.066 ± 0.004°
γ 90°
Cell volume 2415.1 ± 1.5 Å3
Cell temperature 296 ± 2 K
Ambient diffraction temperature 296 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P 1 21/n 1
Hall symmetry space group -P 2yn
Residual factor for all reflections 0.0671
Residual factor for observed reflections 0.0397
Weighted residual factors for the observed reflections 0.097
Weighted residual factors for all reflections included in the refinement 0.1071
Goodness-of-fit parameter for observed reflections 1.033
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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