Crystallography Open Database

Information card for entry 7206104

7206103 << 7206104 >> 7206105

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Structure parameters

Formula	C33 H39 N O4
Calculated formula	C33 H39 N O4
SMILES	N(C(=O)c1ccc([C@@]2(O)c3c(cc(cc3C(C)C)C(C)C)C2(C)C)cc1)[C@H](C(=O)OC)Cc1ccccc1
Title of publication	Photo-induced structural changes in two crystal forms with different numbers of independent molecules
Authors of publication	Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	13
Pages of publication	4332
a	9.2509 ± 0.0016 Å
b	11.481 ± 0.002 Å
c	28.074 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2981.7 ± 0.9 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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