Crystallography Open Database

Information card for entry 1555401

Preview

Coordinates	1555401.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MW5-085
Chemical name	sarpong114
Formula	C19 H23 N O2
Calculated formula	C19 H23 N O2
SMILES	[C@@H]1(C(=O)[C@]([C@@H]2Cc3c(c4c(cccc4)n3C)[C@H]1C2)(C)CO)C
Title of publication	Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.
Authors of publication	Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	21
Pages of publication	5432 - 5435
a	7.5354 ± 0.0006 Å
b	8.5029 ± 0.0008 Å
c	11.9989 ± 0.0011 Å
α	90°
β	90.259 ± 0.006°
γ	90°
Cell volume	768.79 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238614 (current)	2019-11-24	cif/ Adding structures of 1555401 via cif-deposit CGI script.	1555401.cif