Crystallography Open Database

Information card for entry 2003208

2003207 << 2003208 >> 2003209

Preview

Coordinates	2003208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 O
Calculated formula	C15 H24 O
SMILES	C[C@@H]1CC[C@]23C[C@H]1C(C)(C)[C@H]2CCCC3=O
Title of publication	(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one
Authors of publication	Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine
Journal of publication	Acta Crystallographica, Section C: Crystal Structure Communications
Year of publication	1995
Journal volume	51
Journal issue	2
Pages of publication	280 - 282
a	9.958 ± 0.003 Å
b	9.961 ± 0.004 Å
c	12.978 ± 0.006 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	1287.3 ± 0.9 Å³
Cell temperature	294 ± 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
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for all reflections	0.1312
Weighted residual factors for significantly intense reflections	0.1217
Goodness-of-fit parameter for all reflections	0.874
Goodness-of-fit parameter for significantly intense reflections	0.841
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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