Crystallography Open Database

Information card for entry 1561104

Preview

Coordinates	1561104.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Guest_MNB_235_071020
Formula	C40 H26
Calculated formula	C40 H26
SMILES	c1ccc2c(c1)ccc(c1ccc(c3c1C1c4ccccc4C3c3ccccc13)c1cc3ccccc3cc1)c2
Title of publication	Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption
Authors of publication	Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	15
Pages of publication	2282 - 2292
a	8.1285 ± 0.0002 Å
b	22.6403 ± 0.0006 Å
c	14.3177 ± 0.0003 Å
α	90°
β	90.586 ± 0.001°
γ	90°
Cell volume	2634.77 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	2
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	0.0763
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	2.981
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264967 (current)	2021-05-05	cif/ Updating files of 1561104, 1561105 Original log message: Adding full bibliography for 1561104--1561105.cif.	1561104.cif
263107	2021-03-18	cif/ Adding structures of 1561104, 1561105 via cif-deposit CGI script.	1561104.cif