Crystallography Open Database

Information card for entry 1550603

Preview

Coordinates	1550603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H70 Ge2 N6 O2
Calculated formula	C52 H70 Ge2 N6 O2
SMILES	[Ge]12(O[Ge]3(O1)(N(C1=CC=CC=CC1=[N]3CC(C)C)CC(C)C)n1cccc1)([N](=C1C=CC=CC=C1N2CC(C)C)CC(C)C)n1cccc1.Cc1ccccc1.Cc1ccccc1
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	10.595 ± 0.004 Å
b	15.635 ± 0.005 Å
c	14.875 ± 0.005 Å
α	90°
β	92.261 ± 0.006°
γ	90°
Cell volume	2462.2 ± 1.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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.	1550603.cif