Crystallography Open Database

Information card for entry 1550601

Preview

Coordinates	1550601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 Ge2 N6 O2
Calculated formula	C42 H58 Ge2 N6 O2
SMILES	[Ge]12(O[Ge]3(O1)([N](=C1C(N3CC(C)C)=CC=CC=C1)CC(C)C)Nc1ccccc1)([N](=C1C=CC=CC=C1N2CC(C)C)CC(C)C)Nc1ccccc1
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	9.571 ± 0.004 Å
b	13.665 ± 0.007 Å
c	15.943 ± 0.007 Å
α	90°
β	91.027 ± 0.014°
γ	90°
Cell volume	2084.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0791
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1912
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	1550601.cif