Crystallography Open Database

Information card for entry 1100335

Preview

Coordinates	1100335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H21 Br O2
Calculated formula	C12 H21 Br O2
SMILES	BrC1C2(OC(C(O2)(C)C)(C)C)CCCC1
Title of publication	The Conformational Behaviour of 10-Substituted Spiro[4.5]decanes
Authors of publication	Wolff, J. Jens; Frenking, Gernot; Harms, Klaus
Journal of publication	Chemische Berichte
Year of publication	1991
Journal volume	124
Journal issue	3
Pages of publication	551 - 561
a	6.351 ± 0.002 Å
b	11.877 ± 0.006 Å
c	16.86 ± 0.006 Å
α	90°
β	90.92 ± 0.03°
γ	90°
Cell volume	1271.6 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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