Crystallography Open Database

Information card for entry 4513239

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Structure parameters

Common name	4 in manuscript
Formula	C32 H20 Si
Calculated formula	C32 H20 Si
SMILES	[Si](c1ccc(cc1)C#C)(c1ccc(cc1)C#C)(c1ccc(cc1)C#C)c1ccc(cc1)C#C
Title of publication	Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand
Authors of publication	Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	7
Pages of publication	3539
a	13.491 ± 0.002 Å
b	13.491 ± 0.002 Å
c	6.7026 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1219.9 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4513239.cif
140066	2015-07-05	cif/ Updating files of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 Original log message: Adding full bibliography for 4513232--4513239.cif.	4513239.cif
139406	2015-06-20	cif/ Adding structures of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 via cif-deposit CGI script.	4513239.cif