Crystallography Open Database

Information card for entry 7060814

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Coordinates	7060814.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DC-006
Formula	C26 H34 N2 O10 S
Calculated formula	C26 H34 N2 O10 S
Title of publication	Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E
Authors of publication	Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	30
Pages of publication	13302 - 13316
a	29.6209 ± 0.001 Å
b	12.7399 ± 0.0004 Å
c	16.3799 ± 0.0006 Å
α	90°
β	116.825 ± 0.001°
γ	90°
Cell volume	5516.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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