Crystallography Open Database

Information card for entry 1550602

Preview

Coordinates	1550602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H28 B F15 Ge N2 O S
Calculated formula	C39 H28 B F15 Ge N2 O S
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)(Sc2ccccc2)[N](=C2C=CC=CC=C2N1CC(C)C)CC(C)C
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	15.032 ± 0.014 Å
b	11.229 ± 0.012 Å
c	23.3 ± 0.02 Å
α	90°
β	104.94 ± 0.04°
γ	90°
Cell volume	3800 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	1550602.cif