Crystallography Open Database

Information card for entry 2203556

2203555 << 2203556 >> 2203557

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Structure parameters

Chemical name	Dibromophakellin methanol hemisolvate
Formula	C11.5 H13 Br2 N5 O1.5
Calculated formula	C11.495 H12.98 Br2 N5 O1.495
Title of publication	Dibromophakellin methanol hemisolvate
Authors of publication	Shi Hai Xu; Xiao Jian Liao; Xiang Chao Zeng; Kai Yang
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	o782 - o783
a	7.646 ± 0.001 Å
b	28.05 ± 0.006 Å
c	7.67 ± 0.001 Å
α	90°
β	118.65 ± 0.01°
γ	90°
Cell volume	1443.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	0.804
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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