Crystallography Open Database

Information card for entry 7062553

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Coordinates	7062553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Cl3 N2 O4
Calculated formula	C15 H11 Cl3 N2 O4
Title of publication	Synthesis of model southern rim structures of photosynthetic tetrapyrroles and phyllobilins
Authors of publication	Nguyen Tran, Anh Thu; Wu, Zhiyuan; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	29
Pages of publication	13626 - 13637
a	6.6066 ± 0.0002 Å
b	12.8897 ± 0.0005 Å
c	9.5387 ± 0.0004 Å
α	90°
β	97.422 ± 0.001°
γ	90°
Cell volume	805.48 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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