Crystallography Open Database

Information card for entry 7157461

Preview

Coordinates	7157461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 N O
Calculated formula	C27 H33 N O
Title of publication	Base-promoted 1,6-conjugate addition of alkylazaarenes to para-quinone methides.
Authors of publication	Rayaroth, Amritha; Singh, Rajat Kumar; A V, Kalyanakrishnan; Hari, Krishna; Kaliyamoorthy, Alagiri
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	17
Pages of publication	3354 - 3359
a	9.317 ± 0.0009 Å
b	18.704 ± 0.002 Å
c	13.6865 ± 0.0014 Å
α	90°
β	93.967 ± 0.004°
γ	90°
Cell volume	2379.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
252899 (current)	2020-06-05	cif/ Updating files of 7157461 Original log message: Adding full bibliography for 7157461.cif.	7157461.cif
250531	2020-04-09	cif/ Adding structures of 7157461 via cif-deposit CGI script.	7157461.cif