Crystallography Open Database

Information card for entry 7157615

Preview

Coordinates	7157615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H28 N2 O5
Calculated formula	C39 H28 N2 O5
Title of publication	One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.
Authors of publication	Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	32
Pages of publication	6297 - 6311
a	13.89 ± 0.0007 Å
b	16.8786 ± 0.0009 Å
c	17.2527 ± 0.0009 Å
α	64.295 ± 0.002°
β	88.306 ± 0.002°
γ	73.213 ± 0.002°
Cell volume	3467.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
256162 (current)	2020-09-06	cif/ Updating files of 7157612, 7157613, 7157614, 7157615, 7157616, 7157617, 7157618, 7157619 Original log message: Adding full bibliography for 7157612--7157619.cif.	7157615.cif
254576	2020-07-25	cif/ Adding structures of 7157612, 7157613, 7157614, 7157615, 7157616, 7157617, 7157618, 7157619 via cif-deposit CGI script.	7157615.cif