Crystallography Open Database

Information card for entry 7064314

Preview

Coordinates	7064314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N6 O2 Zn
Calculated formula	C26 H22 N6 O2 Zn
Title of publication	Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls
Authors of publication	Tran, Vy-Phuong; Kundu, Arup; Scott, Madelyn N.; Iwanicki, Ainsley; Nalaoh, Phattananawee; Diers, James R.; Taniguchi, Masahiko; Bocian, David F.; Schlau-Cohen, Gabriela S.; Lindsey, Jonathan S.
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	4
Pages of publication	1990 - 2004
a	9.5829 ± 0.0005 Å
b	9.6101 ± 0.0005 Å
c	12.9002 ± 0.0008 Å
α	90°
β	110.305 ± 0.002°
γ	90°
Cell volume	1114.19 ± 0.11 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0352
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
304784 (current)	2026-03-04	cif/ Adding structures of 7064314, 7064315, 7064316, 7064317 via cif-deposit CGI script.	7064314.cif