Crystallography Open Database

Information card for entry 8100859

Preview

Coordinates	8100859.cif

Structure parameters

Formula	C19 H32 O3
Calculated formula	C19 H32 O3
SMILES	[C@H]12[C@@]([C@H]([C@H](C=C1)C2)CO)(CO)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
Title of publication	Crystal structure of (2R,3S)-2exo-[1R-(2S-isopropyl-5R-methylcyclohexyloxy)]- 2endo,3exo-dihydroxymethyl-bicyclo[2.2.1]hept-5-ene, (CH~2 ~OH)~ 2~C~7~H~7~OC~6~H~9~(CH~3~)(C~3~H~7~)
Authors of publication	Peters, E.-M.; Peters, K.; Michieletto, I.; Fabris, F.; De Lucchi, O.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	1
Pages of publication	117 - 118
a	7.511 ± 0.002 Å
b	9.557 ± 0.001 Å
c	24.411 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1752.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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