Crystallography Open Database

Information card for entry 7063904

Preview

Coordinates	7063904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N2 O2
Calculated formula	C21 H18 N2 O2
Title of publication	Synthesis of compact water-soluble bioconjugatable porphyrins for life sciences applications
Authors of publication	Ngo, Quang-Thien; Cao, Phuong-Lien Doan; Wu, Zhiyuan; Siwawannapong, Kittipan; Ntim, Thomas; Nalaoh, Phattananawee; Lindsey, Jonathan S.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	36
Pages of publication	15584 - 15611
a	7.2415 ± 0.0002 Å
b	17.2244 ± 0.0005 Å
c	13.8163 ± 0.0004 Å
α	90°
β	99.585 ± 0.001°
γ	90°
Cell volume	1699.26 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0448
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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