Crystallography Open Database

Information card for entry 4022243

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Coordinates	4022243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H54 N10 O12
Calculated formula	C46.02 H54.05 N10 O12
Title of publication	Methylene-Bridged Glycoluril Dimers: Synthetic Methods
Authors of publication	Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs
Journal of publication	Journal of Organic Chemistry
Year of publication	2002
Journal volume	67
Pages of publication	5817 - 5830
a	10.7933 ± 0.0009 Å
b	26.35 ± 0.002 Å
c	16.7931 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4776.1 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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