Crystallography Open Database

Information card for entry 1554767

Preview

Coordinates	1554767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 Cl N O3
Calculated formula	C31 H24 Cl N O3
SMILES	c1(cccc(c1)C(=O)O[C@@]1(C(=O)N(c2c1cccc2)C)[C@@H](/C=C/c1ccccc1)c1ccccc1)Cl
Title of publication	Palladium catalyzed asymmetric allylation of 3-OBoc-oxindoles: an efficient synthesis of 3-allyl-3-hydroxyoxindoles.
Authors of publication	Jayakumar, Samydurai; Kumarswamyreddy, Nandarapu; Prakash, Muthuraj; Kesavan, Venkitasamy
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	5
Pages of publication	1066 - 1069
a	7.081 ± 0.0004 Å
b	19.406 ± 0.0012 Å
c	9.491 ± 0.0006 Å
α	90°
β	98.161 ± 0.002°
γ	90°
Cell volume	1290.99 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
238109 (current)	2019-11-24	cif/ Adding structures of 1554767 via cif-deposit CGI script.	1554767.cif