Crystallography Open Database

Information card for entry 4034667

Preview

Coordinates	4034667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Br N3 O2
Calculated formula	C26 H22 Br N3 O2
SMILES	Brc1cc(ccc1)[C@@H]1[C@@]2(C(=O)N(c3c2cccc3)C)N[C@@]2(C1)C(=O)N(c1c2cccc1)C
Title of publication	Access to Chiral 2,5-Pyrrolidinyl Dispirooxindoles via Dinuclear Zinc-Catalyzed Asymmetric Cascade Reactions.
Authors of publication	Yang, Xiao-Chao; Liu, Meng-Meng; Mathey, François; Yang, Hua; Hua, Yuan-Zhao; Wang, Min-Can
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	12
Pages of publication	7762 - 7775
a	9.2446 ± 0.0002 Å
b	11.9262 ± 0.0002 Å
c	20.0912 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2215.11 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223144 (current)	2019-11-04	cif/ Adding structures of 4034667 via cif-deposit CGI script.	4034667.cif