Crystallography Open Database

Information card for entry 1569272

Preview

Coordinates	1569272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N O
Calculated formula	C22 H19 N O
SMILES	O=C1c2c(C3([C@@]41[C@H](c1ccccc1)C4)C=CN(C=C3)C)cccc2.O=C1c2c(C3([C@]41[C@@H](c1ccccc1)C4)C=CN(C=C3)C)cccc2
Title of publication	An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.
Authors of publication	Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	25
Pages of publication	6963 - 6969
a	10.4984 ± 0.0006 Å
b	13.6723 ± 0.0008 Å
c	12.6001 ± 0.0008 Å
α	90°
β	108.468 ± 0.007°
γ	90°
Cell volume	1715.44 ± 0.19 Å³
Cell temperature	298 K
Ambient diffraction temperature	289 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	0.1075
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation probe	x-ray
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
284901 (current)	2023-07-05	cif/ Updating files of 1569272, 1569273, 1569274 Original log message: Adding full bibliography for 1569272--1569274.cif.	1569272.cif
284136	2023-06-02	cif/ Adding structures of 1569272, 1569273, 1569274 via cif-deposit CGI script.	1569272.cif