Crystallography Open Database

Information card for entry 2202153

2202152 << 2202153 >> 2202154

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Coordinates	2202153.cif
Original IUCr paper	HTML

Structure parameters

Formula	C7 H7 N2 O6
Calculated formula	C7 H7 N2 O6
Title of publication	3,5-Dinitroxytricyclo[2.2.1.0^2,6^]heptane
Authors of publication	Sema Öztürk; Bülent Büyükkıdan; Ramazan Erenler; Mehmet Akkurt; Osman Çakmak; Hoong-Kun Fun
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	4
Pages of publication	o550 - o552
a	13.4146 ± 0.0009 Å
b	6.6414 ± 0.0005 Å
c	10.0118 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	891.97 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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