Crystallography Open Database

Information card for entry 4027024

Preview

Coordinates	4027024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 N O8
Calculated formula	C23 H35 N O8
SMILES	O=C(OC(C)(C)C)[C@H]1ON2OC[C@@H]3[C@@]2(C1)[C@H](C(C3)(C(=O)OC)C(=O)OC)C1CCCCC1.O=C(OC(C)(C)C)[C@@H]1ON2OC[C@H]3[C@]2(C1)[C@@H](C(C3)(C(=O)OC)C(=O)OC)C1CCCCC1
Title of publication	Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds
Authors of publication	Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	2236 - 2245
a	10.1204 ± 0.0012 Å
b	17.7 ± 0.002 Å
c	26.514 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4749.5 ± 1.1 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.3432
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178449 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/70.	4027024.cif
81092	2013-04-14	cif/ Adding structures of 4027024 via cif-deposit CGI script.	4027024.cif