Crystallography Open Database

Information card for entry 2104221

Preview

Coordinates	2104221.cif
Original IUCr paper	HTML

Structure parameters

Common name	cyclohexanol
Chemical name	perdeutero cyclohexanol
Formula	C6 D12 O
Calculated formula	C6 D12 O
Title of publication	Polymorphism in cyclohexanol
Authors of publication	Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T.
Journal of publication	Acta Crystallographica Section B
Year of publication	2008
Journal volume	64
Journal issue	5
Pages of publication	573 - 582
a	10.53507 ± 0.00003 Å
b	10.535067 Å
c	10.53715 ± 0.00006 Å
α	90°
β	90°
γ	90°
Cell volume	1169.49 ± 0.007 Å³
Cell temperature	2 K
Number of distinct elements	3
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Goodness-of-fit parameter for all reflections	1.15
Diffraction radiation probe	neutron
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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