Crystallography Open Database

Information card for entry 7029261

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Structure parameters

Formula	C30 H40 N2
Calculated formula	C30 H40 N2
SMILES	c1(c(cccc1)Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
Title of publication	Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.
Authors of publication	Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	173 - 181
a	12.2811 ± 0.0004 Å
b	12.3784 ± 0.0004 Å
c	17.0783 ± 0.0005 Å
α	90°
β	97.757 ± 0.001°
γ	90°
Cell volume	2572.49 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
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	0.0591
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7029261.cif
179998	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92.	7029261.cif
105561	2014-03-12	cif/ Adding structures of 7029260, 7029261, 7029262, 7029263, 7029264, 7029265, 7029266 via cif-deposit CGI script.	7029261.cif