Crystallography Open Database

Information card for entry 4108700

Preview

Coordinates	4108700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95.9 H71.71 Cl0.19 N8 O3.95
Calculated formula	C95.9039 H71.7118 Cl0.1918 N8 O3.952
Title of publication	Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents
Authors of publication	Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	15864 - 15871
a	21.0884 ± 0.0005 Å
b	17.8198 ± 0.0005 Å
c	39.0041 ± 0.001 Å
α	90°
β	92.381 ± 0.001°
γ	90°
Cell volume	14644.7 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0975
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1477
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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