Crystallography Open Database

Information card for entry 7064315

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Coordinates	7064315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 N4 O2 Zn
Calculated formula	C44 H44 N4 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	8.2431 ± 0.0015 Å
b	10.46 ± 0.002 Å
c	11.845 ± 0.002 Å
α	106.04 ± 0.006°
β	105.616 ± 0.005°
γ	106.667 ± 0.006°
Cell volume	870.4 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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