Crystallography Open Database

Information card for entry 1550604

Preview

Coordinates	1550604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 B Cl2 F15 Ge N2 O
Calculated formula	C40 H30 B Cl2 F15 Ge N2 O
SMILES	[Ge]1(=[O][B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)(N(C2=CC=CC=CC2=[N]1CC(C)C)CC(C)C)c1ccccc1.ClCCl
Title of publication	Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity
Authors of publication	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran
Journal of publication	Chemical Science
Year of publication	2019
a	12.501 ± 0.003 Å
b	12.739 ± 0.003 Å
c	15.229 ± 0.004 Å
α	97.161 ± 0.008°
β	106.18 ± 0.008°
γ	115.904 ± 0.007°
Cell volume	2008.1 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	0.824
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
213691 (current)	2019-02-19	cif/ Adding structures of 1550600, 1550601, 1550602, 1550603, 1550604, 1550605, 1550606, 1550607, 1550608, 1550609, 1550610, 1550611, 1550612 via cif-deposit CGI script.	1550604.cif