Crystallography Open Database

Information card for entry 1555080

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Structure parameters

Formula	C38 H26 Cl2 O4
Calculated formula	C38 H26 Cl2 O4
SMILES	ClCCl.O(c1cc2C3(c4cc(OC)c(cc4c4c3cc(OC)c(c4)C#C)C#C)c3cc(OC)c(cc3c2cc1C#C)C#C)C
Title of publication	Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.
Authors of publication	Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3494 - 3497
a	13.2235 ± 0.0013 Å
b	24.195 ± 0.002 Å
c	10.2868 ± 0.0012 Å
α	90°
β	110.556 ± 0.011°
γ	90°
Cell volume	3081.6 ± 0.6 Å³
Cell temperature	175 K
Ambient diffraction temperature	175 K
Number of distinct elements	4
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	0.0867
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for all reflections	0.0675
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.1873
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1555080.cif
238306	2019-11-24	cif/ Adding structures of 1555080 via cif-deposit CGI script.	1555080.cif