Crystallography Open Database

Information card for entry 4038835

Preview

Coordinates	4038835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 N2 O5 Si
Calculated formula	C29 H36 N2 O5 Si
Title of publication	Gold-Catalyzed Addition-<i>N</i>-Boc Cleavage-Cyclization of <i>N</i>,<i>O</i>-Acetal with Ynamides for Construction of 6-(<i>tert</i>-Butyldimethylsilyl)oxy-tetrahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-ones.
Authors of publication	Zhang, Yan-Xue; Chen, Ling-Yan; Sun, Jian-Ting; Si, Chang-Mei; Wei, Bang-Guo
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	19
Pages of publication	12603 - 12613
a	10.2581 ± 0.0006 Å
b	11.4654 ± 0.0008 Å
c	14.5949 ± 0.0009 Å
α	70.423 ± 0.002°
β	85.801 ± 0.002°
γ	75.155 ± 0.002°
Cell volume	1563.19 ± 0.17 Å³
Cell temperature	157 ± 2 K
Ambient diffraction temperature	157 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257135 (current)	2020-10-04	cif/ Updating files of 4038835 Original log message: Adding full bibliography for 4038835.cif.	4038835.cif
256684	2020-09-24	cif/ Adding structures of 4038835 via cif-deposit CGI script.	4038835.cif