Crystallography Open Database

Information card for entry 4033404

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Coordinates	4033404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H56 Cl2 N6 O10
Calculated formula	C43 H56 Cl2 N6 O10
Title of publication	Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.
Authors of publication	Prasad, Sure Siva; Baskaran, Sundarababu
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	3
Pages of publication	1558 - 1564
a	19.6068 ± 0.0004 Å
b	11.6765 ± 0.0003 Å
c	19.545 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4474.61 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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