Crystallography Open Database

Information card for entry 4035637

Preview

Coordinates	4035637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 Br N O3 S
Calculated formula	C25 H36 Br N O3 S
SMILES	BrCCCCC[C@H](C(c1ccccc1)(c1ccccc1)OCOC)NS(C(C)(C)C)=O
Title of publication	Addition of the Lithium Anion of Diphenylmethanol Methyl/Methoxymethyl Ether to Nonracemic Sulfinimines: Two-Step Asymmetric Synthesis of Diphenylprolinol Methyl Ether and Chiral (Diphenylmethoxymethyl)amines.
Authors of publication	Reddy, Arava Amaranadha; Prasad, Kavirayani R.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	18
Pages of publication	10776 - 10785
a	8.715 ± 0.003 Å
b	14.329 ± 0.006 Å
c	21.298 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2659.6 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0868
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
227086 (current)	2019-11-11	cif/ Adding structures of 4035637 via cif-deposit CGI script.	4035637.cif