Crystallography Open Database

Information card for entry 7159315

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Coordinates	7159315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 N O7
Calculated formula	C28 H27 N O7
Title of publication	Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.
Authors of publication	Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	18
Pages of publication	3871 - 3880
a	18.0942 ± 0.0006 Å
b	12.8516 ± 0.0004 Å
c	20.5407 ± 0.0007 Å
α	90°
β	93.074 ± 0.002°
γ	90°
Cell volume	4769.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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