Crystallography Open Database

Information card for entry 4345664

Preview

Coordinates	4345664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 N O7 Sn
Calculated formula	C29 H45 N O7 Sn
SMILES	[Sn]1234([N](CC(O1)(C)C)(CC(O2)(C)C)CC(O3)(C)C)OC(=[O]4)[C@@]12C([C@@](C(=O)O1)(CC2)C)(C)C.c1(ccccc1)C
Title of publication	Introducing Stereogenic Centers to Group XIV Metallatranes.
Authors of publication	Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus
Journal of publication	Inorganic chemistry
Year of publication	2017
a	7.0878 ± 0.0003 Å
b	15.2637 ± 0.0013 Å
c	27.1491 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2937.2 ± 0.3 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0681
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
195331 (current)	2017-04-12	cif/ Adding structures of 4345661, 4345662, 4345663, 4345664, 4345665, 4345666 via cif-deposit CGI script.	4345664.cif