Crystallography Open Database

Information card for entry 1555077

Preview

Coordinates	1555077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Cl2 N4 O12
Calculated formula	C30 H22 Cl2 N4 O12
SMILES	ClCCl.O(c1cc2c(c3c(C42c2c(c5c4cc(OC)c(c5)N(=O)=O)cc(N(=O)=O)c(c2)OC)cc(OC)c(c3)N(=O)=O)cc1N(=O)=O)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	10.6627 ± 0.0003 Å
b	10.6627 ± 0.0003 Å
c	29.5381 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3358.3 ± 0.2 Å³
Cell temperature	175 K
Ambient diffraction temperature	175 K
Number of distinct elements	5
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for all reflections	0.0978
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.1026
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
288248 (current)	2023-12-12	cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names.	1555077.cif
238303	2019-11-24	cif/ Adding structures of 1555077 via cif-deposit CGI script.	1555077.cif