Crystallography Open Database

Information card for entry 1545381

Preview

Structure parameters

Chemical name	2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one
Formula	C26 H14 Br2 O
Calculated formula	C26 H14 Br2 O
SMILES	Brc1cc2C3(C(=O)c4ccccc4c4ccccc34)c3c(c2cc1)ccc(Br)c3
Title of publication	2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one
Authors of publication	Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	2
Pages of publication	x170301
a	17.511 ± 0.001 Å
b	8.9191 ± 0.0007 Å
c	25.2761 ± 0.0015 Å
α	90°
β	92.179 ± 0.002°
γ	90°
Cell volume	3944.8 ± 0.4 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
192766 (current)	2017-03-02	cif/ hkl/ Adding structures of 1545381 via cif-deposit CGI script.	1545381.cif 1545381.hkl