Crystallography Open Database

Information card for entry 7120523

7120522 << 7120523 >> 7120524

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Structure parameters

Formula	C16 H22 N8 O7
Calculated formula	C16 H22 N8 O7
Title of publication	Template-assisted photodimerization of N-unprotected uracil derivatives - Selective formation of the cis-syn photodimer
Authors of publication	Weckenmann, Nicole Margrita; Maichle-Moessmer , Caecilia; Nachtsheim, Boris Johannes
Journal of publication	Chem. Commun.
Year of publication	2017
a	7.9316 ± 0.001 Å
b	8.1627 ± 0.001 Å
c	16.285 ± 0.002 Å
α	81.196 ± 0.005°
β	78.977 ± 0.006°
γ	74.965 ± 0.005°
Cell volume	993.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7120523.cif
199625	2017-08-08	cif/ Adding structures of 7120522, 7120523 via cif-deposit CGI script.	7120523.cif