Crystallography Open Database

Information card for entry 7106693

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Coordinates	7106693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 N O7
Calculated formula	C36 H35 N O7
Title of publication	Facile synthesis of carbohydrate-integrated isoxazolines through tandem [4 + 1] cycloaddition and rearrangement of 2-nitroglycals
Authors of publication	Shuting Cai; Shaohua Xiang; Jing Zeng; Bala; Kishan; Gorityala; Xuewei Liu
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	8676
a	10.4039 ± 0.0004 Å
b	11.4624 ± 0.0004 Å
c	12.6741 ± 0.0004 Å
α	90°
β	91.861 ± 0.002°
γ	90°
Cell volume	1510.64 ± 0.09 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0507
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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