Crystallography Open Database

Information card for entry 4024209

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Coordinates	4024209.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ZnC-Br7T10
Formula	C30 H24 Br Cl3 N4 Zn
Calculated formula	C30 H24 Br Cl3 N4 Zn
Title of publication	Two Complementary Routes to 7-Substituted Chlorins. Partial Mimics of Chlorophyll b
Authors of publication	Chinnasamy Muthiah; Marcin Ptaszek; Tien M. Nguyen; Kyle M. Flack; Jonathan S. Lindsey
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	7736 - 7749
a	9.7091 ± 0.0004 Å
b	9.8972 ± 0.0003 Å
c	15.0704 ± 0.0005 Å
α	76.163 ± 0.0019°
β	77.145 ± 0.002°
γ	78.022 ± 0.0018°
Cell volume	1352.55 ± 0.08 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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